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Inixaciclib

CAT: 1568-C01915-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1568-C01915-03Size:100 mg
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CAS Number
2370913-42-9
Synonyms
NUV-422
SKU
C01915-5mg
Target
CDK
Applications
Cell Cycle
Additionnal Information
Inixaciclib (NUV-422) is a potent inhibitor of CDK2, CDK4, and CDK6. It inhibits the growth of glioma cell lines in vitro and exhibits antitumor activity in GB xenograft models, PDX models of HR+ HER2- metastatic breast cancer resistant to CDK4/6 inhibitors and prostate cancer resistant to anti-androgens.

Chemical Information

Inixaciclib

Inixaciclib is a small molecule drug. The usage of the INN stem '-ciclib' in the name indicates that Inixaciclib is a cyclin dependant kinase inhibitor. Inixaciclib has a monoisotopic molecular weight of 480.24 Da.

CAS Number2370913-42-9
PubChem CID139390026
IUPAC Name5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine
Molecular FormulaC26H30F2N6O
Molecular Weight480.6
XLogP4.5
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity680
SMILES
CC(C)N1CCOC2=C1C=C(C=C2F)C3=NC(=NC=C3F)NC4=NC=C(C=C4)C5CCN(CC5)C
InChI
InChI=1S/C26H30F2N6O/c1-16(2)34-10-11-35-25-20(27)12-19(13-22(25)34)24-21(28)15-30-26(32-24)31-23-5-4-18(14-29-23)17-6-8-33(3)9-7-17/h4-5,12-17H,6-11H2,1-3H3,(H,29,30,31,32)
InChIKey
YZSCPLGKKMSBMV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Inixaciclib
CAS: 2370913-42-9
CID: 139390026
Formula: C26H30F2N6O
MW: 480.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.6
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass480.24491593
Monoisotopic Mass480.24491593
Topological Polar Surface Area66.4 Ų
Heavy Atom Count35
Formal Charge0
Complexity680
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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