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BRD-6929

CAT: 0931-T10603-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T10603-01Size:5 mg
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CAS Number
849234-64-6
Target
HIV Protease, HDAC
Related Pathways
Microbiology/Virology, Proteases/Proteasome, Chromatin/Epigenetic, DNA Damage/DNA Repair
Purity
0.9954
Bioactivity
BRD-6929 is a selective, brain-penetrant HDAC1 and HDAC2 inhibitor (IC50: 1 and 8 nM) . BRD-6929 (Cpd-60) shows high-affinity to HDAC1 and HDAC2 (Kis: 0.2 and 1.5 nM) [2]. BRD-6929 potentiates the efficacy of gnidimacrin (a PKC Agonist) against latent HIV-1. BRD-6929 can be used for mood-related behavioral model research[3].
Smiles
CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1
Molecular Formula
C19H17N3O2S
Molecular Weight
351.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

HDAC inhibitor, Compound 1

4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide is a member of benzamides.

CAS Number849234-64-6
PubChem CID6918878
IUPAC Name4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
Molecular FormulaC19H17N3O2S
Molecular Weight351.4
XLogP2.6
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity479
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=CS3)N
InChI
InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)
InChIKey
ABZSPJVXTTUFAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of HDAC inhibitor, Compound 1
CAS: 849234-64-6
CID: 6918878
Formula: C19H17N3O2S
MW: 351.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight351.4
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass351.10414797
Monoisotopic Mass351.10414797
Topological Polar Surface Area112 Ų
Heavy Atom Count25
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes