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1231930-82-7

1231930-82-7 structural image
Product Name: Abemaciclib mesylate (LY2835219)
Formula: C28H36F2N8O3S
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COMPUTED DESCRIPTORS

Molecular Weight 602.7 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 7
Exact Mass 602.25991454 g/mol
Monoisotopic Mass 602.25991454 g/mol
Topological Polar Surface Area 138 Ų
Heavy Atom Count 42
Formal Charge 0
Complexity 815
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 2
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Abemaciclib Mesylate is the mesylate salt of abemaciclib, an orally available cyclin-dependent kinase (CDK) inhibitor that targets the cyclin D1-CDK4 and cyclin D3-CDK6 cell cycle pathway, with potential antineoplastic activity. Abemaciclib specifically inhibits CDK4 and 6, thereby inhibiting retinoblastoma (Rb) protein phosphorylation in early G1. Inhibition of Rb phosphorylation prevents CDK-mediated G1-S phase transition, thereby arresting the cell cycle in the G1 phase, suppressing DNA synthesis and inhibiting cancer cell growth. Overexpression of the serine/threonine kinases CDK4/6, as seen in certain types of cancer, causes cell cycle deregulation.