GSK1940029 - ≥99% , CAS No.1150701-66-8

CAS: 1150701-66-8 Cat. No.: G646442 Molecular Weight: 391.25 PubChem CID: 42603008

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

GSK1940029 (SCD inhibitor 1) is a stearoyl-coa desaturase ( SCD ) inhibitor extracted from patent WO/2009060053 A1, compound example 16.

In Vitro

GSK1940029 (SCD inhibitor 1) is a stearoyl-coa desaturase (SCD), which can be used to treat and/or preventing various diseases, including those mediated by SCD enzyme, such as diseases related to elevated lipid levels, cardiovascular disease, diabetes, obesity, metabolic syndrome, skin disorders such as acne, diseases or conditions related to cancer and the treatment of symptoms linked to the production of the amyloid plaque-forming Aβ42 peptide such as Alzheimer's disease. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Stearoyl-CoA Desaturase (SCD)

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

GSK1940029 (SCD inhibitor 1) is a stearoyl-coa desaturase ( SCD ) inhibitor extracted from patent WO/2009060053 A1, compound example 16.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=C(N=NN1CC2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC=C(C=C3)CO
• IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-N-[4-(hydroxymethyl)phenyl]-5-methyltriazole-4-carboxamide
• InChIKey: QQRGSFYTPBYCFD-UHFFFAOYSA-N
• INCHI: 1S/C18H16Cl2N4O2/c1-11-17(18(26)21-14-5-2-12(10-25)3-6-14)22-23-24(11)9-13-4-7-15(19)16(20)8-13/h2-8,25H,9-10H2,1H3,(H,21,26)
• Isomeric SMILES: CC1=C(N=NN1CC2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC=C(C=C3)CO
• PubChem CID: 42603008
• MeSH Entry Terms: 1-(3,4-dichlorobenzyl)-N-(4-(hydroxymethyl)phenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide;1H-1,2,3-triazole-4-carboxamide, 1-((3,4-dichlorophenyl)methyl)-N-(4-(hydroxymethyl)phenyl)-5-methyl-;GSK1940029
• Molecular Weight: 391.25

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Dichlorobenzenes Benzyl alcohols 2-heteroaryl carboxamides Aryl chlorides Vinylogous amides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Primary alcohols Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aromatic anilide - 2-heteroaryl carboxamide - Benzyl alcohol - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Vinylogous amide - 1,2,3-triazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organohalogen compound - Primary alcohol - Aromatic alcohol - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO : ≥ 32 mg/mL (81.79 mM)
• Molecular Weight: 391.200 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 390.065 Da
• Monoisotopic Mass: 390.065 Da
• Topological Polar Surface Area: 80.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 476.000
• 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