1-Naphthohydroxamic Acid
Basic information
- CAS
6953-61-3- Standard SMILES
O=C(NO)c1cccc2ccccc12- InChIKey
JRZGPWOEHDOVMC-UHFFFAOYSA-N- Molecular formula
- C11H9NO2
- Average molar mass
- 187.19 g/mol
- Monoisotopic mass
- 187.06332853
Names & identifiers
- Preferred name
- 1-Naphthohydroxamic Acid
- IUPAC
- N-hydroxynaphthalene-1-carboxamide
- English name
- 1-NAPHTHOHYDROXAMIC ACID
- Molecular formula
- C11H9NO2
- Molecular weight
- 187.19
Names & synonyms
1-Naphthohydroxamic acidRefChem:435021677-593-36953-61-3N-Hydroxy-1-naphthamideN-Hydroxynaphthalene-1-carboxamideHDAC8-IN-21-NAPHTHALENECARBOXAMIDE, N-HYDROXY-MFCD00059546CHEMBL115468NSC-57457alpha-Naphthohydroxamic acid
Show more names
Naphthohydroxamicacida-Naphthohydroxamic acid1-NaphthohydroxamicAcid>alpha-naphthohydroxamicacid1-NAPHTHOHYDROXAMIC ACID 98+%HDAC Inhibitor XIX, Compound 2n-hydroxy-1-naphthalenecarboxamid1-Naphthalenecarbohydroximic acid
NSC 57457BRN 20944708GKnaphthylhydroxamic acidN-Hydroxy-1-naphthamide #4-09-00-02407 (Beilstein Handbook Reference).alpha.-Naphthohydroxamic acidorb1220052
Database identifiers
- CAS
6953-61-3- PubChem CID
- 23382
- DTXSID
DTXSID30219789- ChEMBL
CHEMBL115468- EC Number
- 677-593-3
- Nikkaji
- J208.758H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Melting point
- 176 · 176-178 °C
- Density
- 1.291 · 1.291±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 5 mg/mL · DMSO: ≥5mg/mL
- pka
- 8.91 · 8.91±0.30(Predicted)
- form
- White solid
- color
- white to tan
- InChI
- 1S/C11H9NO2/c13-11(12-14)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,14H,(H,12,13)
- InChIKey
- JRZGPWOEHDOVMC-UHFFFAOYSA-N
- SMILES
- ONC(=O)c1cccc2ccccc12
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 312 · H312-H302-H332
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- QJ1894500
- hs_code
- 2928009090
- risk_code
- 52
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H312-H302-H332
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Chemistry & industry
Applications
Uses1-Naphthohydroxamic Acid is a potent HDAC inhibitor with efficacy against HDAC8, HDAC1 and HDAC6.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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