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CAY10603 - 98%, high purity , CAS No.1045792-66-2, Inhibitor of histone deacetylase 1;Inhibitor of histone deacetylase 10;Inhibitor of histone deacetylase 2;Inhibitor of histone deacetylase 3;Inhibitor of histone deacetylase 6;Inhibitor of histone deacetylase 8

COA COA
In stock
Item Number
H331683
Grouped product items
SKU Size
Availability
 Price Qty
H331683-1mg
1mg
6
$70.90
H331683-5mg
5mg
5
$129.90
H331683-10mg
10mg
3
$212.90
H331683-25mg
25mg
2
$414.90
H331683-100mg
100mg
1
$984.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

an inhibitor of HDAC6

View related series
Cell Cycle (2830) Cell Cycle/DNA Damage (2602) Epigenetics (1496) HDAC (160) histone deacetylase 1 Inhibitor (31) histone deacetylase 10 Inhibitor (8) histone deacetylase 2 Inhibitor (23) histone deacetylase 3 Inhibitor (27) histone deacetylase 6 Inhibitor (33) histone deacetylase 8 Inhibitor (22) Histone Modification (1379)

Basic Description

Synonyms CCG-208664 | compound 3 [PMID: 18642892] | MLS006010316 | tert-butyl N-[4-[3-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]-1,2-oxazol-5-yl]phenyl]carbamate | Khelline | HDAC6 | HMS3648E12 | EINECS 244-759-8 | J-001196 | NCGC00250390-01 | TERT-BUTYL N-[4-(3-{[
Specifications & Purity Moligand™, ≥98%
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 Inhibitor of histone deacetylase 1;Inhibitor of histone deacetylase 10;Inhibitor of histone deacetylase 2;Inhibitor of histone deacetylase 3;Inhibitor of histone deacetylase 6;Inhibitor of histone deacetylase 8
Product Description

HDAC6 Inhibitor is a selective and potent inhibitor of HDAC6 (IC|50|= 0.002 nM, as compared with HDAC1 (IC|50|= 271 nM), HDAC2 (IC|50|= 252 nM), HDAC3 (IC|50|= 0.42 nM), HDAC8 (IC|50|= 6851 nM), and HDAC10 (IC|50|= 90.7 nM). HDAC6 Inhibitor also prevents the growth of several pancreatic cancer cell lines (IC|50|= 0.1-1 μM). HDAC6 Inhibitor is more active in inhibiting cell growth than the broad spectrum HDAC inhibitor suberoylanilide hydroamic acid .

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Phenylcarbamic acid esters
Intermediate Tree Nodes Not available
Direct Parent Phenylcarbamic acid esters
Alternative Parents 2-heteroaryl carboxamides  Isoxazoles  Heteroaromatic compounds  Carbamate esters  Secondary carboxylic acid amides  Organic carbonic acids and derivatives  Hydroxamic acids  Oxacyclic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Phenylcarbamic acid ester - 2-heteroaryl carboxamide - Azole - Isoxazole - Carbamic acid ester - Heteroaromatic compound - Carboxamide group - Hydroxamic acid - Carbonic acid derivative - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Oxacycle - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as phenylcarbamic acid esters. These are ester derivatives of phenylcarbamic acids.
External Descriptors Not available

Product Properties

pKa pKa: 8.12, pKa: 2.41

Associated Targets(Human)

HDAC6 Tclin Histone deacetylase 6 (5 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HDAC1 Tclin Histone deacetylase 1 (5 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 (4 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
HDAC8 Tclin Histone deacetylase 8 (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)
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
BXPC-3 (2997 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HL-60 (67320 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MCF7 (126967 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
A549 (127892 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MIA PaCa-2 (5949 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HCT-116 (91556 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HMEC (560 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Jurkat (10389 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HuP-T3 (170 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
Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HD1 Histone deacetylase (38 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
B16-F10 (4610 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 488200726
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488200726
IUPAC Name tert-butyl N-[4-[3-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]-1,2-oxazol-5-yl]phenyl]carbamate
INCHI InChI=1S/C22H30N4O6/c1-22(2,3)31-21(29)24-16-11-9-15(10-12-16)18-14-17(26-32-18)20(28)23-13-7-5-4-6-8-19(27)25-30/h9-12,14,30H,4-8,13H2,1-3H3,(H,23,28)(H,24,29)(H,25,27)
InChIKey WWGBHDIHIVGYLZ-UHFFFAOYSA-N
Smiles CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO
Isomeric SMILES CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=NO2)C(=O)NCCCCCCC(=O)NO
Molecular Weight 446.5
Reaxy-Rn 19089252
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19089252&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
E2323247 Certificate of Analysis Apr 12, 2023 H331683
E2323248 Certificate of Analysis Apr 12, 2023 H331683
E2323255 Certificate of Analysis Apr 12, 2023 H331683
E2323251 Certificate of Analysis Apr 12, 2023 H331683
E2323256 Certificate of Analysis Apr 12, 2023 H331683
E2323258 Certificate of Analysis Apr 12, 2023 H331683
E2323246 Certificate of Analysis Apr 12, 2023 H331683
E2323254 Certificate of Analysis Apr 12, 2023 H331683
E2323253 Certificate of Analysis Apr 12, 2023 H331683
E2323252 Certificate of Analysis Apr 12, 2023 H331683

Chemical and Physical Properties

Solubility Soluble in DMSO (~15 mg/ml), and DMF (~15 mg/ml).
Refractive Index n20D1.56 (Predicted)
Molecular Weight 446.500 g/mol
XLogP3 2.600
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 12
Exact Mass 446.217 Da
Monoisotopic Mass 446.217 Da
Topological Polar Surface Area 143.000 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 616.000
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

Alternative Products

  1. HDAC6 inhibitor, Inhibitor of histone deacetylase 1;Inhibitor of histone deacetylase 10;Inhibitor of histone deacetylase 2;Inhibitor of histone deacetylase 3;Inhibitor of histone deacetylase 6;Inhibitor of histone deacetylase 8
    HDAC6 inhibitor, Inhibitor of histone deacetylase 1;Inhibitor of histone deacetylase 10;Inhibitor of histone deacetylase 2;Inhibitor of histone deacetylase 3;Inhibitor of histone deacetylase 6;Inhibitor of histone deacetylase 8

    Starting at $334.90

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