BRD-6929 is a potent, selective brain-penetrant inhibitor of class I histone deacetylase HDAC1 and HDAC2 inhibitor with IC 50 of 1 nM and 8 nM, respectively. BRD-6929 shows high-affinity to HDAC1 and HDAC2 with K i of 0.2 and 1.5 nM, respectively. BRD-6929 can be used for mood-related behavioral model research.

사양

동의어

4-Acetamido-N-(2-amino-5-(thiophen-2-yl)phenyl)benzamide

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

BRD-6929 is axa0potent, selective brain-penetrant inhibitor of class I histone deacetylase HDAC1 and HDAC2 inhibitor with IC 50 of 1 nM and 8 nM, respectively. BRD-6929 shows high-affinity to HDAC1 and HDAC2 with K i of 0.2 and 1.5 nM, respectively. BRD-6

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Protected from light,Store at -20°C

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등급

Moligand™

작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

정식 스마일

CC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=CS3)N

IUPAC Name

4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide

InChIKey

ABZSPJVXTTUFAA-UHFFFAOYSA-N

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)

이성체 SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=CS3)N

PubChem CID

6918878

분자량

351.42

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고급 데이터

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - 분류 Benzene and substituted derivatives
    - Subclass Anilides
      - Level5 Aromatic anilides
        Level6 Benzanilides

Kingdom	Organic compounds
Superclass	Benzenoids
분류	Benzene and substituted derivatives
Subclass	Anilides
Intermediate Tree Nodes	Aromatic anilides
Direct Parent	Benzanilides
Alternative Parents	Acylaminobenzoic acid and derivatives Acetanilides Benzamides N-acetylarylamines Aniline and substituted anilines Benzoyl derivatives Acetamides Thiophenes Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Organic oxides Organopnictogen compounds Primary amines Carbonyl compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzanilide - Acylaminobenzoic acid or derivatives - Acetanilide - Benzamide - N-acetylarylamine - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - N-arylamide - Heteroaromatic compound - Acetamide - Thiophene - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
설명	This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

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Lot Number	Certificate Type	날짜	항목
J2627225	Certificate of Analysis	Jun 27, 2026	B650552
J2627226	Certificate of Analysis	Jun 27, 2026	B650552
J2627227	Certificate of Analysis	Jun 27, 2026	B650552
J2627228	Certificate of Analysis	Jun 27, 2026	B650552

용해성	DMSO : 5 mg/mL (14.23 mM; Need ultrasonic)
분자량	351.400 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	351.104 Da
Monoisotopic Mass	351.104 Da
Topological Polar Surface Area	112.000 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	479.000
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

BRD-6929 - Moligand™, ≥98% , CAS No.849234-64-6

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