Basic information
- CAS
468719-52-0- Standard SMILES
Cc1c(F)c(N)c2c(=O)cc(-c3ccc(NC(=O)[C@@H](N)CCCCN)c(F)c3)oc2c1F- InChIKey
WHWJKUICJXPKFQ-ZDUSSCGKSA-N- Molecular formula
- C22H23F3N4O3
- Average molar mass
- 448.4 g/mol
- Monoisotopic mass
- 448.17222509
Names & identifiers
- Preferred name
- AFP-464 free base
- IUPAC
- (2S)-2,6-diamino-N-[4-(5-amino-6,8-difluoro-7-methyl-4-oxochromen-2-yl)-2-fluorophenyl]hexanamide
- English name
- AFP464
- Molecular formula
- C22H23F3N4O3
- Molecular weight
- 448.44
Names & synonyms
AFP-464 free base468719-52-0UNII-O3HFV0VQ36O3HFV0VQ36Hexanamide, 2,6-diamino-N-(4-(5-amino-6,8-difluoro-7-methyl-4-oxo-4H-1-benzopyran-2-yl)-2-fluorophenyl)-, (2S)-DTXSID80196970RefChem:110051DTXCID20119461(2S)-2,6-diamino-N-[4-(5-amino-6,8-difluoro-7-methyl-4-oxochromen-2-yl)-2-fluorophenyl]hexanamide(S)-2,6-Diamino-N-(4-(5-amino-6,8-difluoro-7-methyl-4-oxo-4H-chromen-2-yl)-2-fluorophenyl)hexanamide468719-52-0 (free base)AFP464 free base
Show more names
AFP464NSC710464 free baseAFP464 free base,AFP-464 free baseHexanamide, 2,6-diamino-N-[4-(5-amino-6,8-difluoro-7-methyl-4-oxo-4H-1-benzopyran-2-yl)-2-fluorophenyl]-, (2S)-
NCI60_038882orb1710478SCHEMBL1560143CHEMBL2007884AKOS040732395DA-70630HY-16031NCI60_036618
Database identifiers
- CAS
468719-52-0
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 725
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- FDA UNII
- 3 HFV0VQ36 · O3HFV0VQ36
- NCI Dictionary of Cancer Terms
- 464 · AFP464
- NCI Drug Dictionary
- 464 · AFP464
Chemistry & industry
Applications
UsesAFP464 free base (NSC710464 free base), is an active HIF-1α inhibitor with an IC50 of 0.25 μM, also is a potent aryl hydrocarbon receptor (AhR) activator.
Suppliers6 total
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Wuhan NCE Biomedical Co.,Ltd.4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…