VUT-MK142 - Moligand™, ≥98% , CAS No.1313491-22-3

CAS: 1313491-22-3 Cat. No.: V412908 Formula: C₁₇H₂₂N₄O Molecular Weight: 298.4

GRADE & PURITY Moligand™, ≥98%

Synonyms

N4-Cyclohexyl-N6-(4-methoxyphenyl)pyrimidine-4,6-diamine

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Information

VUT-MK142 is a potent new cardiomyogenic synthetic agent that promotes the differentiation of pre-cardiac mesoderm into cardiomyocytes.

Specifications

Synonyms

N4-Cyclohexyl-N6-(4-methoxyphenyl)pyrimidine-4,6-diamine

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

VUT-MK142 is a potent new cardiomyogenic synthetic agent that promotes the differentiation of pre-cardiac mesoderm into cardiomyocytes.

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥98%

Names and Identifiers

Canonical Smiles

COC1=CC=C(C=C1)NC2=CC(=NC=N2)NC3CCCCC3

IUPAC Name

4-N-cyclohexyl-6-N-(4-methoxyphenyl)pyrimidine-4,6-diamine

InChIKey

YPIHLCLKUNREAT-UHFFFAOYSA-N

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)

Isomeric SMILES

COC1=CC=C(C=C1)NC2=CC(=NC=N2)NC3CCCCC3

Molecular Weight

298.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

P19 (309 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

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

Frequently Asked Questions

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 1313491-22-3, the molecular formula is C17H22N4O, and the molecular weight is 298.4 g/mol. InChIKey YPIHLCLKUNREAT-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.