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VUT-MK142 , CAS No.1313491-22-3
Basic Description
Biochemical and Physiological Mechanisms
VUT-MK142 is a potent new cardiomyogenic synthetic agent that promotes the differentiation of pre-cardiac mesoderm into cardiomyocytes.
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.
Product Description
Information
VUT-MK142 is a potent new cardiomyogenic synthetic agent that promotes the differentiation of pre-cardiac mesoderm into cardiomyocytes.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Methoxyanilines
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - Imidolactam - Heteroaromatic compound - Azacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy 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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-N-cyclohexyl-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
INCHI
InChI=1S/C17H22N4O/c1-22-15-9-7-14(8-10-15)21-17-11-16(18-12-19-17)20-13-5-3-2-4-6-13/h7-13H,2-6H2,1H3,(H2,18,19,20,21)
InChIKey
YPIHLCLKUNREAT-UHFFFAOYSA-N
Smiles
COC1=CC=C(C=C1)NC2=CC(=NC=N2)NC3CCCCC3
Isomeric SMILES
COC1=CC=C(C=C1)NC2=CC(=NC=N2)NC3CCCCC3
PubChem CID
53261094
Molecular Weight
298.4
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
298.400 g/mol
XLogP3
4.200
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
298.179 Da
Monoisotopic Mass
298.179 Da
Topological Polar Surface Area
59.100 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
314.000
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
1
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