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INX-315

CAT: 0931-T86723-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T86723-03Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2745060-92-6
Target
CDK, Early 2 Factor (E2F)
Related Pathways
Cell Cycle/Checkpoint
Purity
0.9988
Bioactivity
INX-315 is an orally active, selective CDK2 inhibitor that induces cell cycle arrest and senescence in solid tumours, suppresses E2F target gene expression, and exhibits anticancer activity in ccne1-amplified cancers and cdk4/6i-resistant intraductal breast cancer models.
Smiles
O=C1NNC2=CC=3C=NC(=NC3N2C14CCCCC4)NC5=CC=C(C=C5)S(=O)(=O)N
Molecular Formula
C19H21N7O3S
Molecular Weight
427.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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