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PHA-690509

CAT: 0013-GTR19202550-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202550-01Size:25 mg
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Description
PHA-690509 is a selective cyclin-dependent kinase 2 (CDK2) inhibitor for research use. It has demonstrated anti-proliferative activity in vitro and has been investigated in vivo for its potential in cancer research, particularly in studies targeting cell cycle dysregulation.
CAS Number
492445-28-0
Field of Research
Cell Biology, Infectious Disease & Virology, Metabolism Research, Protein Biochemistry
Smiles
[C@H] (C (NC=1SC (C (C) C) =CN1) =O) (C) C2=CC=C (NC (C) =O) C=C2
Molecular Formula
C17H21N3O2S
Molecular Weight
331.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pha-690509
CAS Number492445-28-0
PubChem CID9902100
IUPAC Name(2S)-2-(4-acetamidophenyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)propanamide
Molecular FormulaC17H21N3O2S
Molecular Weight331.4
XLogP3
Topological Polar Surface Area99.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity422
SMILES
C[C@@H](C1=CC=C(C=C1)NC(=O)C)C(=O)NC2=NC=C(S2)C(C)C
InChI
InChI=1S/C17H21N3O2S/c1-10(2)15-9-18-17(23-15)20-16(22)11(3)13-5-7-14(8-6-13)19-12(4)21/h5-11H,1-4H3,(H,19,21)(H,18,20,22)/t11-/m0/s1
InChIKey
NFSKEXQRNDSSAN-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Pha-690509
CAS: 492445-28-0
CID: 9902100
Formula: C17H21N3O2S
MW: 331.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.4
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass331.13544809
Monoisotopic Mass331.13544809
Topological Polar Surface Area99.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity422
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

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