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CHDI 00390576 - ≥98%(HPLC), high purity , CAS No.1629729-98-1

COA COA
    Grade & Purity:
  • ≥98%(HPLC)
In stock
Item Number
C287594
Grouped product items
SKU Size
Availability
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C287594-1mg
1mg
3
$47.90
C287594-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$165.90
C287594-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$279.90
C287594-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$559.90
C287594-50mg
50mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$907.90
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Potent and selective class IIa HDAC inhibitor; brain penetrant

View related series
Cell Cycle (2830) Cell Cycle/DNA Damage (2602) Class II HDAC Inhibitors (1) Epigenetics (1496) HDAC (160) Histone Modification (1379)

Basic Description

Synonyms 2-(2-Fluorophenyl)-N-hydroxy-2-(4-(5-(trifluoromethyl)pyrimidin-2-yl)phenyl)acetamide | CHDI-390576
Specifications & Purity ≥98%(HPLC)
Biochemical and Physiological Mechanisms Potent and selective class IIa histone deacetylase (HDAC) inhibitor (IC50values are 31, 50, 54 and 60 nM for HDAC7, HDAC9, HDAC4 and HDAC5, respectively). Displays >100-fold selectivity for class IIa HDACs over other HDACs. Brain penetrant.
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Diphenylmethanes
Intermediate Tree Nodes Not available
Direct Parent Diphenylmethanes
Alternative Parents Phenylacetamides  Monocyclic monoterpenoids  Aromatic monoterpenoids  Fluorobenzenes  Pyrimidines and pyrimidine derivatives  Aryl fluorides  Heteroaromatic compounds  Hydroxamic acids  Azacyclic compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  Alkyl fluorides  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Diphenylmethane - P-cymene - Aromatic monoterpenoid - Phenylacetamide - Monocyclic monoterpenoid - Monoterpenoid - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Pyrimidine - Heteroaromatic compound - Hydroxamic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Alkyl halide - Alkyl fluoride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
External Descriptors Not available

Associated Targets(Human)

HDAC4 Tclin Histone deacetylase 4 (4 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HDAC7 Tclin Histone deacetylase 7 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HDAC9 Tclin Histone deacetylase 9 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HDAC5 Tclin Histone deacetylase 5 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PGR Tclin Progesterone receptor (8562 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADRB1 Tclin Beta-1 adrenergic receptor (6630 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DRD2 Tclin Dopamine D2 receptor (23596 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DRD1 Tclin Dopamine D1 receptor (9720 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DRD4 Tchem Dopamine D4 receptor (7907 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLC6A2 Tclin Norepinephrine transporter (10102 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HRH2 Tclin Histamine H2 receptor (5428 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AVPR2 Tclin Vasopressin V2 receptor (2912 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADORA1 Tclin Adenosine A1 receptor (17603 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLC6A4 Tclin Serotonin transporter (12625 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CRHR1 Tclin Corticotropin releasing factor receptor 1 (2996 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HRH1 Tclin Histamine H1 receptor (7573 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
DRD3 Tclin Dopamine D3 receptor (14368 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AVPR1A Tclin Vasopressin V1a receptor (5412 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
OPRL1 Tchem Nociceptin receptor (3823 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PTGER2 Tclin Prostanoid EP2 receptor (1730 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PTGIR Tclin Prostanoid IP receptor (1280 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SLC6A3 Tclin Dopamine transporter (10535 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CACNA1C Tclin Voltage-gated L-type calcium channel alpha-1C subunit (766 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYSLTR1 Tclin Cysteinyl leukotriene receptor 1 (2118 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EDNRB Tclin Endothelin receptor ET-B (1928 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EDNRA Tclin Endothelin receptor ET-A (5008 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TACR1 Tclin Neurokinin 1 receptor (6273 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADORA2A Tclin Adenosine A2a receptor (16305 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CNR2 Tchem Cannabinoid CB2 receptor (16942 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TRHR Tclin Thyrotropin-releasing hormone receptor (318 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADORA3 Tchem Adenosine A3 receptor (15931 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BDKRB2 Tclin Bradykinin B2 receptor (3970 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C8 Tchem Cytochrome P450 2C8 (1492 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TACR2 Tchem Neurokinin 2 receptor (3341 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HRH3 Tclin Histamine H3 receptor (10389 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HDAC8 Tclin Histone deacetylase 8 (4516 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TACR3 Tchem Neurokinin 3 receptor (1696 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MTNR1A Tclin Melatonin receptor 1A (2519 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HDAC2 Tclin Histone deacetylase 2 (3971 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HDAC4 Tclin Histone deacetylase 4 (2328 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CCKBR Tclin Cholecystokinin B receptor (3550 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HDAC9 Tclin Histone deacetylase 9 (708 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HDAC7 Tclin Histone deacetylase 7 (1047 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Agtr2 Angiotensin II type 2 (AT-2) receptor (803 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mc4r Melanocortin receptor 4 (1205 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Cckar Cholecystokinin A receptor (90 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Bdkrb1 Bradykinin B1 receptor (77 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac1 Histone deacetylase 1 (93 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac5 Histone deacetylase 5 (5 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Gabrp GABA-A receptor; anion channel (5731 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Grin1 Glutamate NMDA receptor (6467 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Chrm1 Muscarinic acetylcholine receptor (3770 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Adra1b Adrenergic receptor alpha-1 (5652 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Adra2c Adrenergic receptor alpha-2 (3313 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Gria2 Glutamate receptor ionotropic, AMPA (2103 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Grik1 Glutamate receptor ionotropic, kainate (722 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Oprd1 Opioid receptor (994 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Htr1b Serotonin 1 (5-HT1) receptor (408 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Cacna1c Voltage-gated L-type calcium channel (1164 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Kcnn2 Small conductance calcium-activated potassium channel (260 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 2-(2-fluorophenyl)-N-hydroxy-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]phenyl]acetamide
INCHI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)
InChIKey LMGDHGQJJLEAPQ-UHFFFAOYSA-N
Smiles C1=CC=C(C(=C1)C(C2=CC=C(C=C2)C3=NC=C(C=N3)C(F)(F)F)C(=O)NO)F
Isomeric SMILES C1=CC=C(C(=C1)C(C2=CC=C(C=C2)C3=NC=C(C=N3)C(F)(F)F)C(=O)NO)F
Molecular Weight 391.32
Reaxy-Rn 27467432
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27467432&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

10 results found

Lot Number Certificate Type Date Item
G2418086 Certificate of Analysis Apr 10, 2024 C287594
G2418110 Certificate of Analysis Apr 10, 2024 C287594
G2418106 Certificate of Analysis Apr 10, 2024 C287594
G2418107 Certificate of Analysis Apr 10, 2024 C287594
G2418108 Certificate of Analysis Apr 10, 2024 C287594
G2418109 Certificate of Analysis Apr 10, 2024 C287594
G2418085 Certificate of Analysis Apr 10, 2024 C287594
G2418111 Certificate of Analysis Apr 10, 2024 C287594
G2418112 Certificate of Analysis Apr 10, 2024 C287594
G2418113 Certificate of Analysis Apr 10, 2024 C287594

Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 39.13, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 39.13, Max Conc. mM: 100
Molecular Weight 391.300 g/mol
XLogP3 3.300
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 4
Exact Mass 391.094 Da
Monoisotopic Mass 391.094 Da
Topological Polar Surface Area 75.100 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 518.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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