Basic information
- CAS
471270-60-7- Standard SMILES
CC(C)n1cnc2c(NCc3ccccc3O)nc(NCCCO)nc21- InChIKey
HFIXLXXNEZMSGH-UHFFFAOYSA-N- Molecular formula
- C18H24N6O2
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.19607401
Names & identifiers
- Preferred name
- 6-(2-Hydroxybenzylamino)-2-(3-hydroxypropylamino)-9-isopropylpurine
- IUPAC
- 2-[[[2-(3-hydroxypropylamino)-9-propan-2-ylpurin-6-yl]amino]methyl]phenol
- English name
- Cdk Inhibitor, p35
- Molecular formula
- C18H24N6O2
- Molecular weight
- 356.42
Names & synonyms
2-Hydroxybohemine471270-60-7Cdk Inhibitor, p356-(2-HYDROXYBENZYLAMINO)-2-(3-HYDROXYPROPYLAMINO)-9-ISOPROPYLPURINE2-[[[2-(3-hydroxypropylamino)-9-propan-2-ylpurin-6-yl]amino]methyl]phenolCHEMBL4199312-(((2-((3-Hydroxypropyl)amino)-9-isopropyl-9H-purin-6-yl)amino)methyl)phenolSCHEMBL2169283SCHEMBL29783464DTXSID70400018C18H24N6O2HMS3229D11
Show more names
GFRPP35NFSKUP3BNKSF1UPIIIBCalpactin-2Calpactin IILipocortin IChromobindin-9
BDBM50120508HSCI1_000096MFCD06411405AKOS0274479152-[({2-[(3-hydroxypropyl)amino]-9-(propan-2-yl)-9H-purin-6-yl}amino)methyl]phenolDB-273047BRD-K88988070-001-01-92-(3-hydroxypropylamino)-6-(o -hydroxybenzylamino)-9-isopropylpurine
Database identifiers
- CAS
471270-60-7- PubChem CID
- 4155347
- DTXSID
DTXSID70400018- ChEMBL
CHEMBL419931- Nikkaji
- J1.814.979F
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 426
Physicochemical properties
- Melting point
- 56 · 56-60°C
- Density
- 1.35 · 1.35
- storage temp.
- -20 °C · -20°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Yellow solid
- color
- White to Pale Yellow
Chemistry & industry
Applications
UsesAn analogue of Olomoucine (Cat. # O567000) that acts as a potent inhibitor of Cdk 1 (IC50=100nm) and Cdk2 (IC50=80nm). Also displays antiproliferative and proapoptotic effects.
Suppliers5 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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