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PCI-24781 (Abexinostat) - ≥97%, high purity , Histone deacetylase inhibitor, CAS No.783355-60-2, Histone deacetylase inhibitor

COA COA
In stock
Item Number
P126975
Grouped product items
SKU Size
Availability
 Price Qty
P126975-1mg
1mg
3
$41.90
P126975-5mg
5mg
3
$90.90
P126975-10mg
10mg
3
$142.90
P126975-50mg
50mg
3
$456.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Broad-spectrum histone deacytylase (HDAC) inhibitor.

View related series
Cell Cycle (2830) Cell Cycle/DNA Damage (2602) Epigenetics (1496) HDAC (160) histone deacetylase 1 Inhibitor (31) histone deacetylase 3 Inhibitor (27) Histone Modification (1379) Lipid PEG (395)

Basic Description

Synonyms DB12565 | BDBM24622 | ABEXINOSTAT [WHO-DD] | AKOS025149423 | FT-0673532 | UDWXLZLRRVQONG-UHFFFAOYSA-M | CRA-02478 | Abexinostat [USAN:INN] | SY035141 | 3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoyl)phenoxy]ethyl}-1-benzofuran-2-carboxamide | CCG-264
Specifications & Purity Moligand™, ≥97%
Biochemical and Physiological Mechanisms PCI-24781 is a broad spectrum hydroxamic acid-based inhibitor of HDAC that shows antitumor activity in vitro. PCI-24781 inhibited pure recombinant HDAC1 with a Ki of 0.007 Mmol/L, as well as HDAC2, HDAC3/SMRT, HDAC6, HDAC8, and HDAC10 in the nanomolar ran
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.
Grade Moligand™
Action Type INHIBITOR
Mechanism of action Histone deacetylase inhibitor
Note Toxic, refer to SDS for further information . Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description

PCI-24781 (Abexinostat) is a novel pan-HDAC inhibitor mostly targeting HDAC1 with Ki of 7 nM, modest potent to HDACs 2, 3, 6, and 10 and greater than 40-fold selectivity against HDAC8.
An HDAC1, HDAC2, HDAC3, HDAC6, HDAC8, and HDAC10 inhibitor.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Benzofurans
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Benzofurans
Alternative Parents Benzoic acids and derivatives  Phenoxy compounds  Phenol ethers  2-heteroaryl carboxamides  Furoic acid and derivatives  Benzoyl derivatives  Alkyl aryl ethers  Aralkylamines  Heteroaromatic compounds  Trialkylamines  Secondary carboxylic acid amides  Amino acids and derivatives  Hydroxamic acids  Oxacyclic compounds  Organic oxides  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Benzofuran - Benzoic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - Phenol ether - Phenoxy compound - Furoic acid or derivatives - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Furan - Carboxamide group - Tertiary aliphatic amine - Hydroxamic acid - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Ether - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
External Descriptors Not available

Product Properties

ALogP 2.2

Associated Targets(Human)

HDAC4 Tclin Histone deacetylase 4 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HDAC6 Tclin Histone deacetylase 6 (3 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HDAC1 Tclin Histone deacetylase 1 (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)
HDAC11 Tclin Histone deacetylase 11 (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)
HDAC2 Tclin Histone deacetylase 2 (3 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HDAC10 Tclin Histone deacetylase 10 (5 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HDAC8 Tclin Histone deacetylase 8 (3 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)
HDAC3 Tclin Histone deacetylase 3 (3 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
LTA4H Tchem Leukotriene A4 hydrolase (1442 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
HDAC10 Tclin Histone deacetylase 10 (801 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
HDAC3 Tclin Histone deacetylase 3 (3654 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
HDAC9 Tclin Histone deacetylase 9 (708 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HDAC11 Tclin Histone deacetylase 11 (967 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
HDAC3 Tclin Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (735 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

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
Trypanosoma brucei brucei (13300 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Schistosoma mansoni (6170 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 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

Pubchem Sid 504766702
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504766702
IUPAC Name 3-[(dimethylamino)methyl]-N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-1-benzofuran-2-carboxamide
INCHI InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKey MAUCONCHVWBMHK-UHFFFAOYSA-N
Smiles CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)NO
Isomeric SMILES CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)NO
Molecular Weight 397.42
Reaxy-Rn 12075242
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12075242&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.

4 results found

Lot Number Certificate Type Date Item
I2214766 Certificate of Analysis Jun 19, 2024 P126975
I2214768 Certificate of Analysis Jun 19, 2024 P126975
I2214769 Certificate of Analysis Jun 19, 2024 P126975
I2214767 Certificate of Analysis Jun 19, 2024 P126975

Chemical and Physical Properties

Solubility DMSO ≥78mg/mL Water <1.2mg/mL Ethanol <1.2mg/mL
Molecular Weight 397.400 g/mol
XLogP3 2.200
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 8
Exact Mass 397.164 Da
Monoisotopic Mass 397.164 Da
Topological Polar Surface Area 104.000 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 550.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
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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