Basic information
- CAS
845895-51-4- Standard SMILES
CP(C)(=O)c1ccc(Nc2nc(C3CCCC3)nc3c2ncn3CCc2cccc(O)c2)cc1- InChIKey
VVOYROSONSLQQK-UHFFFAOYSA-N- Molecular formula
- C26H30N5O2P
- Average molar mass
- 475.5 g/mol
- Monoisotopic mass
- 475.21371221
Overview
a potent adenosine 5'-triphosphate (ATP)-based inhibitor of Src and Abl kinases
Names & identifiers
- Preferred name
- AP-23464
- IUPAC
- 3-[2-[2-cyclopentyl-6-(4-dimethylphosphorylanilino)purin-9-yl]ethyl]phenol
- English name
- 3-[2-[2-cyclopentyl-6-(4-diMethylphosphorylanilino)purin-9-yl]ethyl]phenol
- Molecular formula
- C26H30N5O2P
- Molecular weight
- 475.52
Names & synonyms
845895-51-4AP-23464AP23464HEJ6QDU4PARefChem:9160213-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-9H-PURIN-9-YL)ETHYL]PHENOL3-[2-[2-cyclopentyl-6-(4-dimethylphosphorylanilino)purin-9-yl]ethyl]phenolUNII-HEJ6QDU4PACHEMBL1089405AP-23464 [WHO-DD]3-[2-[2-cyclopentyl-6-[[4-(dimethylphosphinyl)phenyl]amino]-9H-purin-9-yl]ethyl]Phenol3-(2-(2-Cyclopentyl-6-((4-(dimethylphosphinyl)phenyl)amino)-9H-purin-9-yl)ethyl)phenol
Show more names
3-[2-[2-Cyclopentyl-6-[[4-(dimethylphosphinyl)phenyl]amino]-9H-purin-9-yl]ethyl]-phenol(4-((2-Cyclopentyl-9-(3-hydroxyphenethyl)-9H-purin-6-yl)amino)phenyl)dimethylphosphine oxide
Phenol, 3-(2-(2-cyclopentyl-6-((4-(dimethylphosphinyl)phenyl)amino)-9H-purin-9-yl)ethyl)-2bdjPhenol, 3-[2-[2-cyclopentyl-6-[[4-(dimethylphosphinyl)phenyl]amino]-9H-purin-9-yl]ethyl]-orb1740899SCHEMBL13576390SCHEMBL29370627GLXC-02927AP 23464 [WHO-DD]
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 705
Physicochemical properties
- Boiling point
- 680.6 · 680.6±65.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3 (20 ºC 760 Torr)
- pka
- 9.93 · 9.93±0.10(Predicted)
- FDA UNII
- 6 QDU4PA · HEJ6QDU4PA
Chemistry & industry
Applications
UsesAP23464 is an ATP-based inhibitor for Kit, that inhibits the phosphorylation of Kit wildtype and mutants, with IC50 of 5-85 nM. AP23464 inhibits the proliferation of Kit mutated cells (IC50 is 3-20 nM), arrests the cell cycle at G0/G1 phase, and induces apoptosis in Kit mutated cells[1].
Suppliers13 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
百盛HK进出口有限公司+86-18068513926
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海指月生物科技有限公司13918644899 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
无锡东禾医药科技有限公司63313187 15358055255 · [email protected]
上海索本生物科技有限公司13023173052 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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