Products for Research Use Only

(S) -CR8

CAT: 0013-GTR19200647-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200647-02Size:25 mg
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Description
(S) -CR8 is a potent and selective second-generation inhibitor of cyclin-dependent kinases (CDKs) . It is widely used in biochemical and cellular research to study cell cycle progression, transcription, and apoptosis. Studies have demonstrated its utility in both in vitro assays and in vivo models of cancer and neurodegenerative diseases.
CAS Number
1084893-56-0
Field of Research
Cell Biology
Smiles
C (C) (C) N1C=2C (=C (NCC3=CC=C (C=C3) C4=CC=CC=N4) N=C (N[C@@H] (CC) CO) N2) N=C1
Molecular Formula
C24H29N7O
Molecular Weight
431.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

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

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

CAS Number1084893-56-0
PubChem CID25211051
IUPAC Name(2S)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butan-1-ol
Molecular FormulaC24H29N7O
Molecular Weight431.5
XLogP3.8
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity556
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
Chemical Structure
2D Structure
2D structure of (2S)-2-[[9-propan-2-yl-6-[[4-(2-pyridinyl)phenyl]methylamino]-2-purinyl]amino]-1-butanol
CAS: 1084893-56-0
CID: 25211051
Formula: C24H29N7O
MW: 431.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight431.5
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass431.24335857
Monoisotopic Mass431.24335857
Topological Polar Surface Area101 Ų
Heavy Atom Count32
Formal Charge0
Complexity556
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes