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Ribociclib hydrochloride - 10mM in DMSO, high purity , CAS No.1211443-80-9

COA

Grade & Purity:

10mM in DMSO

Cas Number: 1211443-80-9
Molecular Weight: 471
PubChem CID: 67242274

In stock

Item Number

R420921

Grouped product items
SKU	Size	Availability	Price	Qty
R420921-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$241.90

CDK Inhibitors

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Cell Cycle (2830) Compound libraries (12325)

Basic Description

Synonyms	1211443-80-9 \| Ribociclib hydrochloride \| LEE011 hydrochloride \| Ribociclib HCl \| 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) \| 63YF7YKW7E \| 7-cyclopentyl-N,N-dime
Specifications & Purity	10mM in DMSO
Biochemical and Physiological Mechanisms	Ribociclib (LEE011) hydrochloride is a highly specific dual inhibitor of CDK4 and CDK6 with IC50 of 10 nM and 39 nM, respectively.
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	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

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 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
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
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

Product Properties

ALogP	3.282
HBD Count	2
Rotatable Bond	5

Names and Identifiers

IUPAC Name	7-cyclopentyl-N,N-dimethyl-2-[(5-piperazin-1-ylpyridin-2-yl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide;hydrochloride
INCHI	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
InChIKey	JZRSIQPIKASMEV-UHFFFAOYSA-N
Smiles	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5.Cl
Isomeric SMILES	CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5.Cl
PubChem CID	67242274
Molecular Weight	471

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

DMSO(mg / mL) Max Solubility	94
DMSO(mM) Max Solubility	199.575371549894
Water(mg / mL) Max Solubility	94
Water(mM) Max Solubility	199.575371549894
Molecular Weight	471.000 g/mol
XLogP3
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 Å²
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

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