Basic information
- CAS
174664-65-4- Standard SMILES
O=C(C=Cc1cccc(C(=O)NO)c1)NO- InChIKey
OYKBQNOPCSXWBL-UHFFFAOYSA-N- Molecular formula
- C10H10N2O4
- Average molar mass
- 222.2 g/mol
- Monoisotopic mass
- 222.0640568
Names & identifiers
- Preferred name
- N-Hydroxy-3-(3-(hydroxyamino)-3-oxoprop-1-en-1-yl)benzamide
- IUPAC
- N-hydroxy-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamide
- English name
- Benzamide, N-hydroxy-3-[3-(hydroxyamino)-3-oxo-1-propen-1-yl]-
- Molecular formula
- C10H10N2O4
- Molecular weight
- 222.2
Names & synonyms
N-Hydroxy-3-(3-(hydroxyamino)-3-oxoprop-1-en-1-yl)benzamideN-Hydroxy-3-[3-(hydroxyamino)-3-oxoprop-1-en-1-yl]benzamideSCHEMBL675747orb1704986SCHEMBL29354058DTXSID00274380N-hydroxy-3-[3-(hydroxyamino)-3-oxoprop-1-enyl]benzamideBenzamide, N-hydroxy-3-[3-(hydroxyamino)-3-oxo-1-propenyl]-AKOS028110667DB-231488H27302N-hydroxy-3-[3-(hydroxyamino)-3-oxo-1-propen-1-yl]-benzamide
Show more names
CBHAHDAC inhibitorN-Hydroxy-3-[3-(hydroxyaMino)-3-oxo-1-propen-1-yl]benzaMideBenzamide, N-hydroxy-3-[3-(hydroxyamino)-3-oxo-1-propen-1-yl]-
Database identifiers
- CAS
174664-65-4- PubChem CID
- 2602
- DTXSID
DTXSID00274380
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Density
- 1.431 · 1.431±0.06 g/cm3(Predicted)
- storage temp.
- -20 C · -20C
- solubility
- 20 mg/ml · ≤20mg/ml in DMSO;20mg/ml in dimethyl formamide
- pka
- 8.69 · 8.69±0.10(Predicted)
- form
- Off-white solid
- color
- off-white
- Sensitive
- Light Sensitive
- InChI
- 1S/C10H10N2O4/c13-9(11-15)5-4-7-2-1-3-8(6-7)10(14)12-16/h1-6,15-16H,(H,11,13)(H,12,14)/b5-4+
- InChIKey
- OYKBQNOPCSXWBL-SNAWJCMRSA-N
- SMILES
- N(O)C(=O)c1cc(ccc1)\C=C\C(=O)NO
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 54 · NA.54
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P302+P352-P305+P351+P338-P321-P405-P501
- WGK Germany
- 1 · WGK 1
- 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 1
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P302+P352-P305+P351+P338-P321-P405-P501
Chemistry & industry
Applications
UsesHistone deacetylase inhibitor II. A cell-permeable second generation hybrid polar agent that inhibits HDAC activity. Inhibition is believed to arise as a result of the binding of the hydroxamic moiety to the active site zinc. Induces apoptosis and Fas/Fas ligand expression in human neuroblastoma.
Suppliers16 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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