GPR120 Agonist 2 - ≥99% , CAS No.1234844-11-1

CAS: 1234844-11-1 Cat. No.: G646571 Molecular Weight: 388.88 PubChem CID: 46700745

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

GPR120 Agonist 2 is a GPR120 agonist extracted from patent US 20110313003 A1, example 209.

In Vitro

GPR120 Agonist 2 is a GPR120 agonist which is useful for the treatment of metabolic diseases, including Type II diabetes and diseases associated with poor glycemic control. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:GPR120

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

GPR120 Agonist 2 is a GPR120 agonist extracted from patent US 20110313003 A1, example 209.

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

AGONIST

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=C(C=CC(=C1C)OCC2=CC(=CC3=C2OC(C3)(C)C)Cl)CCC(=O)O
• IUPAC Name: 3-[4-[(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)methoxy]-2,3-dimethylphenyl]propanoic acid
• InChIKey: KOHMUAMPZUHGNV-UHFFFAOYSA-N
• INCHI: 1S/C22H25ClO4/c1-13-14(2)19(7-5-15(13)6-8-20(24)25)26-12-17-10-18(23)9-16-11-22(3,4)27-21(16)17/h5,7,9-10H,6,8,11-12H2,1-4H3,(H,24,25)
• Isomeric SMILES: CC1=C(C=CC(=C1C)OCC2=CC(=CC3=C2OC(C3)(C)C)Cl)CCC(=O)O
• PubChem CID: 46700745
• Molecular Weight: 388.88

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Coumarans o-Xylenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Aryl chlorides Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-phenylpropanoic-acid - Coumaran - Phenoxy compound - Phenol ether - O-xylene - Xylene - Alkyl aryl ether - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Benzenoid - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Organohalogen compound - Organochloride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• 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 : ≥ 50 mg/mL (128.57 mM)
• Molecular Weight: 388.900 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 388.144 Da
• Monoisotopic Mass: 388.144 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 522.000
• 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