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(S) -PHA533533

CAT: 0013-GTR19236544-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236544-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(S) -PHA533533 is a potent and selective CDK2 inhibitor with demonstrated antitumor activity. It has also been shown to induce widespread neuronal UBE3A expression in Angelman syndrome mouse models, supporting its investigation in oncology and neurodevelopmental disorder research.
CAS Number
437982-89-3
Field of Research
Cell Biology
Smiles
N (C ([C@@H] (C) C1=CC=C (C=C1) N2C (=O) CCC2) =O) C=3C=C (NN3) C4CC4
Molecular Formula
C19H22N4O2
Molecular Weight
338.40
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pha-533533

PHA-533533 is a carboxamide resulting from the formal condensation of the primary amino group of 5-cyclopropyl-1H-pyrazol-3-amine with the carboxy group of (2S)-2-phenylpropanoic acid in which the phenyl ring is substituted at the para position by a 2-oxopyrrolidin-1-yl group. A CDK2 inhibitor with antineoplastic activity. It has a role as an antineoplastic agent and an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is a secondary carboxamide, a tertiary carboxamide, a member of pyrazoles, a member of cyclopropanes and a member of pyrrolidin-2-ones.

CAS Number437982-89-3
PubChem CID5330949
IUPAC Name(2S)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
Molecular FormulaC19H22N4O2
Molecular Weight338.4
XLogP1.9
Topological Polar Surface Area78.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity514
SMILES
C[C@@H](C1=CC=C(C=C1)N2CCCC2=O)C(=O)NC3=NNC(=C3)C4CC4
InChI
InChI=1S/C19H22N4O2/c1-12(19(25)20-17-11-16(21-22-17)14-4-5-14)13-6-8-15(9-7-13)23-10-2-3-18(23)24/h6-9,11-12,14H,2-5,10H2,1H3,(H2,20,21,22,25)/t12-/m0/s1
InChIKey
UAOIPNOTWOYAMU-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Pha-533533
CAS: 437982-89-3
CID: 5330949
Formula: C19H22N4O2
MW: 338.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.4
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass338.17427596
Monoisotopic Mass338.17427596
Topological Polar Surface Area78.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity514
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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