Basic information
- CAS
849234-64-6- Standard SMILES
CC(=O)Nc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1- InChIKey
ABZSPJVXTTUFAA-UHFFFAOYSA-N- Molecular formula
- C19H17N3O2S
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.10414797
Overview
4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide is a member of benzamides.
Names & identifiers
- Preferred name
- HDAC inhibitor, Compound 1
- IUPAC
- 4-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamide
- English name
- 4-acetamido-N-(2-amino-5-(thiophen-2-yl)phenyl)benzamide
- Molecular formula
- C19H17N3O2S
- Molecular weight
- 351.42
Names & synonyms
RefChem:1086373HDAC inhibitor, Compound 1849234-64-6BRD-69294-acetamido-N-(2-amino-5-(thiophen-2-yl)phenyl)benzamideMerck604-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)benzamideMerk60BRD69294-Acetamido-N-[2-amino-5-(2-thienyl)phenyl]benzamide4-(Acetylamino)-N-[2-Amino-5-(Thiophen-2-Yl)phenyl]benzamideN-[2-amino-5-(thiophen-2-yl)phenyl]-4-acetamidobenzamide
Show more names
151025BRD 6929BRD 6929BRD-6929, 10 mM in DMSOBenzamide, 4-(acetylamino)-N-[2-amino-5-(2-thienyl)phenyl]-Inhibitor,mood-related,BRD-6929,Human immunodeficiency virus,HDAC,BRD6929,HDACi,BRD 6929,HIV,behavioral,inhibit,Histone deacetylases
4ly1COMPOUND-60benzamide-type inhibitor, 19CHEMBL235842orb1146518orb1309905SCHEMBL1067833SCHEMBL29716677
Database identifiers
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 479
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- DMSO: soluble
- form
- A solid
- color
- Off-white to gray
- 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
- SMILES
- CC(NC1=CC=C(C(NC2=C(N)C=CC(C3=CC=CS3)=C2)=O)C=C1)=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P330-P302+P352-P321-P304+P340-P305+P351+P338-P332+P313-P362+P364-P337+P313-P403+P233-P405-P501
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P330-P302+P352-P321-P304+P340-P305+P351+P338-P332+P313-P362+P364-P337+P313-P403+P233-P405-P501
Chemistry & industry
Applications
UsesBRD-6929 is a potent, selective brain-penetrant inhibitor of class I histone deacetylase HDAC1 and HDAC2 inhibitor with IC50 of 1 nM and 8 nM, respectively. BRD-6929 shows high-affinity to HDAC1 and HDAC2 with Ki of 0.2 and 1.5 nM, respectively. BRD-6929 can be used for mood-related behavioral model research[3].
Suppliers46 total
成都彼样生物科技有限公司18108052721 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
Aladdin Scientific[email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
无锡捷化医药科技有限公司0510-83588313-811 18800520310 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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