(S)-CR8, CDK 1, 2, 5, 7 and 9 inhibitor

Key facts

CAS number

1084893-56-0

Purity

>98%

Form

Solid

form

Molecular weight

431.5 Da

Molecular formula

C₂₄H₂₉N₇O

PubChem

25211051

Nature

Synthetic

Solubility

Soluble in ethanol to 25 mM

Soluble in DMSO to 10 mM

Biochemical name

(2S)-2-[[9-propan-2-yl-6-[[4-(2-pyridinyl)phenyl]methylamino]-2-purinyl]amino]-1-butanol

Biological description

Potent, selective, cell-permeable cyclin-dependent kinase (CDK) 1, 2, 5, 7 and 9 inhibitor (IC₅₀ = 41 - 400 nM). (R)-DRF053 (ab141505) analog. More potent than roscovirtine. Apoptosis inducer. GSK-3α/β (glycogen synthase kinase-3α/β) inhibitor. Antitumor potential.

Canonical smiles

CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=C(C=C3)C4=CC=CC=N4

Isomeric smiles

CC[C@@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=C(C=C3)C4=CC=CC=N4

InChi

InChI=1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m0/s1

InChiKey

HOCBJBNQIQQQGT-IBGZPJMESA-N

IUPAC Name

(2S)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butan-1-ol