Ribociclib hydrochloride - ≥99% , CAS No.1211443-80-9

CAS: 1211443-80-9 Cat. No.: R413239 分子式: C₂₃H₃₁ClN₈O 分子量: 471 PubChem CID: 67242274

GRADE & PURITY ≥99%

Synonyms

JZRSIQPIKASMEV-UHFFFAOYSA-N | LEE011 (hydrochloride) | BS-14527 | Ribociclib HCl | AKOS030632787 | 7-Cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide hydrochloride | LEE011 hydrochloride | BCP127

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

Ribociclib hydrochloride Ribociclib (LEE011) hydrochloride is a highly specific dual inhibitor of CDK4 and CDK6 with IC50 of 10 nM and 39 nM, respectively.

Targets

CDK4 (Cell-free assay); CDK6 (Cell-free assay) 10 nM; 39 nM

Specifications

同義語

JZRSIQPIKASMEV-UHFFFAOYSA-N | LEE011 (hydrochloride) | BS-14527 | Ribociclib HCl | AKOS030632787 | 7-Cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide hydrochloride | LEE011 hydrochloride | BCP127

仕様と純度

≥99%

生化学的・生理学的メカニズム

Ribociclib (LEE011) hydrochloride is a highly specific dual inhibitor of CDK4 and CDK6 with IC50 of 10 nM and 39 nM, respectively.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥99%

製品の性質

• ALogP: 3.282
• HBD数: 2
• 回転可能な結合: 5

名前と識別子

• パブケム・シド: 504771883
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504771883
• カノニカル・スマイル: CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5.Cl
• IUPAC Name: 7-cyclopentyl-N,N-dimethyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;hydrochloride
• InChIKey: JZRSIQPIKASMEV-UHFFFAOYSA-N
• INCHI: 1S/C23H30N8O.ClH/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;/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28);1H
• 異性体SMILES: CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5.Cl
• PubChem CID: 67242274
• 分子量: 471

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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 Aminopyridines and derivatives Aminopyrimidines and derivatives Substituted pyrroles Imidolactams Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Dialkylamines Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridinylpiperazine - N-arylpiperazine - Pyrimidinecarboxamide - Pyrrolopyrimidine - Pyrrolo[2,3-d]pyrimidine - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyrimidine - Aminopyridine - Imidolactam - Substituted pyrrole - Pyridine - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrole - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: 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

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro DMSO: 94 mg/mL (199.57 mM); Water: 94 mg/mL (199.57 mM); Ethanol: 94 mg/mL (199.57 mM)
• 感度: Moisture sensitive
• DMSO（mg / mL） 最大溶解度: 94
• DMSO（mM） 最大溶解度: 199.575371549894
• 水（mg / mL） 最大溶解度: 94
• 水（mM） 最大溶解度: 199.575371549894
• 分子量: 471.000 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 470.231 Da
• Monoisotopic Mass: 470.231 Da
• Topological Polar Surface Area: 91.200 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 635.000
• 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

XLogP3

よくある質問

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1211443-80-9, the molecular formula is C23H31ClN8O, and the molecular weight is 471 g/mol. InChIKey JZRSIQPIKASMEV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.