LEE011 succinate - ≥98% , Cyclin-dependent kinase 6 inhibitor, CAS No.1374639-75-4, Cyclin-dependent kinase 6 inhibitor

CAS: 1374639-75-4 Cat. No.: L302513 Molecular Weight: 552.63 EC Number: 801-486-4

GRADE & PURITY ≥98%

Synonyms

D10979 | Q27274660 | SB18482 | 7-cyclopentyl-N,N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide; butanedioic acid | SCHEMBL2684999 | 1374639-75-4 | LEE011 succinateLEE011 succinate | 7-Cyclopentyl-N,N-dimethyl

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Ribociclib (lee011) succeed (kiskali) is a highly specific dual inhibitor for CDK4 and Cdk6, with IC50 values of 10 nm and 39 nm, respectively.

Specifications

Synonyms

D10979 | Q27274660 | SB18482 | 7-cyclopentyl-N, N-dimethyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H-pyrrolo[2, 3-d]pyrimidine-6-carboxamide; butanedioic acid | SCHEMBL2684999 | 1374639-75-4 | LEE011 succinateLEE011 succinate | 7-Cyclopentyl-N, N-dimethyl

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

Cyclin-dependent kinase 6 inhibitor

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504771545
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771545
• Canonical Smiles: CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5.C(CC(=O)O)C(=O)O
• IUPAC Name: butanedioic acid;7-cyclopentyl-N,N-dimethyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
• InChIKey: NHANOMFABJQAAH-UHFFFAOYSA-N
• INCHI: 1S/C23H30N8O.C4H6O4/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30;5-3(6)1-2-4(7)8/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28);1-2H2,(H,5,6)(H,7,8)
• Isomeric SMILES: CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5.C(CC(=O)O)C(=O)O
• Molecular Weight: 552.63
• Reaxy-Rn: 30234406
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30234406&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines Pyrrolo[2,3-d]pyrimidines Pyrimidinecarboxamides Pyrrole carboxamides 2-heteroaryl carboxamides Dialkylarylamines Aminopyrimidines and derivatives Aminopyridines and derivatives Substituted pyrroles Imidolactams Fatty acids and conjugates Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Dialkylamines Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Not available
• Substituents: Pyridinylpiperazine - N-arylpiperazine - Pyrimidinecarboxamide - Pyrrolopyrimidine - Pyrrolo[2,3-d]pyrimidine - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Dialkylarylamine - Aminopyrimidine - Aminopyridine - Imidolactam - Substituted pyrrole - Fatty acid - Pyrimidine - Dicarboxylic acid or derivatives - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO 100 mg/mL (180.95 mM)
• Molecular Weight: 552.600 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 552.281 Da
• Monoisotopic Mass: 552.281 Da
• Topological Polar Surface Area: 166.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 728.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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