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CHIR 99021 trihydrochloride - ≥98%(HPLC), high purity , CAS No.1782235-14-6

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 1782235-14-6
Molecular Weight: 574.72
PubChem CID: 78243722

In stock

Item Number

C288576

Grouped product items
SKU	Size	Availability	Price	Qty
C288576-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$169.90
C288576-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$639.90

Hydrochloride salt ofCHIR 99021; selective GSK-3 inhibitor

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Basic Description

Synonyms	HY-10182B \| E77136 \| CHIR 99021 trihydrochloride (252917-06-9 free base) \| CHIR-99021 trihydrochloride \| LMF6N91874 \| Laduviglusib (trihydrochloride) \| CHIR 99021 trihydrochloride \| CT99021 trihydrochloride \| CT99021 trihydrochloride;CHIR-99021 3HCl; GSK
Specifications & Purity	≥98%(HPLC)
Biochemical and Physiological Mechanisms	Hydrochloride salt ofCHIR 99021, a highly selective GSK-3 inhibitor.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrimidines
Alternative Parents	Dichlorobenzenes 3-pyridinecarbonitriles Aminopyrimidines and derivatives Aminopyridines and derivatives Imidolactams Aryl chlorides Imidazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organochlorides Hydrochlorides Hydrocarbon derivatives Amines
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	4-phenylpyrimidine - 1,3-dichlorobenzene - 3-pyridinecarbonitrile - Aminopyridine - Aminopyrimidine - Halobenzene - Chlorobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Pyridine - Benzenoid - Imidolactam - Heteroaromatic compound - Azole - Imidazole - Carbonitrile - Nitrile - Azacycle - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrochloride - Hydrocarbon derivative - Cyanide - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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

Names and Identifiers

IUPAC Name	6-[2-[[4-(2,4-dichlorophenyl)-5-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]amino]ethylamino]pyridine-3-carbonitrile;trihydrochloride
INCHI	InChI=1S/C22H18Cl2N8.3ClH/c1-13-10-29-21(31-13)17-12-30-22(32-20(17)16-4-3-15(23)8-18(16)24)27-7-6-26-19-5-2-14(9-25)11-28-19;;;/h2-5,8,10-12H,6-7H2,1H3,(H,26,28)(H,29,31)(H,27,30,32);3*1H
InChIKey	DSFVSCNMMZRCIA-UHFFFAOYSA-N
Smiles	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N.Cl.Cl.Cl
Isomeric SMILES	CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N.Cl.Cl.Cl
PubChem CID	78243722
Molecular Weight	574.72

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Solvent:water, Max Conc. mg/mL: 14.37, Max Conc. mM: 25; Solvent:DMSO, Max Conc. mg/mL: 28.74, Max Conc. mM: 50
Molecular Weight	574.700 g/mol
XLogP3
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	574.03 Da
Monoisotopic Mass	572.033 Da
Topological Polar Surface Area	115.000 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	645.000
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	4

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