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Y-27632 dihydrochloride - GMP, ≥99%, high purity , CAS No.129830-38-2
Y-27632 synthesized to cGMP guidelines
Basic Description
Synonyms
trans-4-[(1R)-1-Aminoethyl]-N-4-pyridinylcyclohexanecarboxamide dihydrochloride
Specifications & Purity
GMP, ≥99%
Storage Temp
Room temperature
Shipped In
Normal
Grade
GMP
Product Description
Selective ROCK Inhibitor. Increases survival of ESCs and iPSCs undergoing cryopreservation
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
N-arylamides
Intermediate Tree Nodes
Not available
Direct Parent
N-arylamides
Alternative Parents
Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-arylamide - Pyridine - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Primary aliphatic amine - Amine - Carbonyl group - Hydrochloride - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-arylamides. These are organic compounds that contain a carboxamide group that is N-linked to a aryl group. They have the generic structure RC(=O)N(R')H, R = organyl group and R'= aryl group.
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.
Names and Identifiers
IUPAC Name
4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide;dihydrochloride
INCHI
InChI=1S/C14H21N3O.2ClH/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13;;/h6-12H,2-5,15H2,1H3,(H,16,17,18);2*1H/t10-,11?,12?;;/m1../s1
InChIKey
IDDDVXIUIXWAGJ-DDSAHXNVSA-N
Smiles
Cl.Cl.C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc2ccncc2
Isomeric SMILES
C[C@H](C1CCC(CC1)C(=O)NC2=CC=NC=C2)N.Cl.Cl
WGK Germany
3
Molecular Weight
320.26
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Specific Rotation[α]
+4.0° (C=1,MeOH)
Melt Point(°C)
252 °C
Molecular Weight
320.300 g/mol
XLogP3
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
319.122 Da
Monoisotopic Mass
319.122 Da
Topological Polar Surface Area
68.000 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
268.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
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
3
Citations of This Product
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1 Citations