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INX-315

CAT: 1568-C01910-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:1568-C01910-1gSize:1 g
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CAS Number
2745060-92-6
Target
CDK
Applications
Cell Cycle
Molecular Formula
C19H21N7O3S
Additionnal Information
INX-315 is an orally active and selective inhibitor of CDK2 that induces cell cycle arrest in the G1 phase. It exhibits an IC50 value of 2.3 nM in intracellular NanoBRET assay, respectively. It displays a 50-fold increased CDK2 selectivity compared to CDK1. INX-315 decreases the phosphorylation of CDK2 substrates and suppresses tumor growth in xenograft mouse models in a dose-dependent manner.

Chemical Information

CID 162360412

CDK2 Inhibitor INX-315 is an orally bioavailable small molecule inhibitor of cyclin-dependent kinase 2 (CDK2), with potential antineoplastic activity. Upon oral administration, CDK2 inhibitor INX-315 selectively targets, binds to and inhibits the activity of CDK2. This may lead to cell cycle arrest, the induction of apoptosis, and the inhibition of tumor cell proliferation. CDKs are serine/threonine kinases that are important regulators of cell cycle progression and cellular proliferation and are frequently overexpressed in tumor cells.

CAS Number2745060-92-6
PubChem CID162360412
IUPAC Name4-[(12-oxospiro[1,3,5,10,11-pentazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraene-13,1'-cyclohexane]-4-yl)amino]benzenesulfonamide
Molecular FormulaC19H21N7O3S
Molecular Weight427.5
XLogP2.4
Topological Polar Surface Area152
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity759
SMILES
C1CCC2(CC1)C(=O)NNC3=CC4=CN=C(N=C4N23)NC5=CC=C(C=C5)S(=O)(=O)N
InChI
InChI=1S/C19H21N7O3S/c20-30(28,29)14-6-4-13(5-7-14)22-18-21-11-12-10-15-24-25-17(27)19(8-2-1-3-9-19)26(15)16(12)23-18/h4-7,10-11,24H,1-3,8-9H2,(H,25,27)(H2,20,28,29)(H,21,22,23)
InChIKey
KGJVKYSVVOQPDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 162360412
CAS: 2745060-92-6
CID: 162360412
Formula: C19H21N7O3S
MW: 427.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.5
XLogP32.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass427.14265873
Monoisotopic Mass427.14265873
Topological Polar Surface Area152 Ų
Heavy Atom Count30
Formal Charge0
Complexity759
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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