GPR120 modulator 1 - ≥98% , CAS No.1050506-75-6

CAS: 1050506-75-6 Cat. No.: G646461 Molecular Weight: 389.85 PubChem CID: 25017320

GRADE & PURITY ≥98%

Synonyms

GPR120-modulator-1 | 1050506-75-6 | F84832 | A906739 | DTXSID50648431 | FONSSTYHKIFEBM-UHFFFAOYSA-N | GPR120 modulator 1 | SCHEMBL3210801 | 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid | HY-50162 | {4-[4-(2-Chloro-phenyl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

GPR120 modulator 1 is a G protein coupled receptor 120 (GPR120) modulator extracted from patent US8394841B2, compound example F1. GPR120 modulator 1 can be used for the research of diseases associated with abnormal or deregulated GPR120, such as diabetes

Form:Solid

IC50& Target:GPR120

Specifications

Synonyms

GPR120-modulator-1 | 1050506-75-6 | F84832 | A906739 | DTXSID50648431 | FONSSTYHKIFEBM-UHFFFAOYSA-N | GPR120 modulator 1 | SCHEMBL3210801 | 2-[4-[[4-(2-chlorophenyl)-1, 3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid | HY-50162 | {4-[4-(2-Chloro-phenyl

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

GPR120 modulator 1 is a G protein coupled receptor 120 (GPR120) modulator extracted from patent US8394841B2, compound example F1. GPR120 modulator 1 can be used for the research of diseases associated with abnormal or deregulated GPR120, such as diabetes

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

MODULATOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=C(C=CC(=C1)OCC2=NC(=CS2)C3=CC=CC=C3Cl)OCC(=O)O
• IUPAC Name: 2-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]methoxy]-2-methylphenoxy]acetic acid
• InChIKey: FONSSTYHKIFEBM-UHFFFAOYSA-N
• INCHI: 1S/C19H16ClNO4S/c1-12-8-13(6-7-17(12)25-10-19(22)23)24-9-18-21-16(11-26-18)14-4-2-3-5-15(14)20/h2-8,11H,9-10H2,1H3,(H,22,23)
• Isomeric SMILES: CC1=C(C=CC(=C1)OCC2=NC(=CS2)C3=CC=CC=C3Cl)OCC(=O)O
• Alternate CAS: 1050506-75-6
• PubChem CID: 25017320
• Molecular Weight: 389.85

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Toluenes 2,4-disubstituted thiazoles Alkyl aryl ethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenoxyacetate - Phenoxy compound - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Chlorobenzene - Toluene - Halobenzene - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - Thiazole - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : ≥ 100 mg/mL (256.51 mM)
• Molecular Weight: 389.900 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 389.049 Da
• Monoisotopic Mass: 389.049 Da
• Topological Polar Surface Area: 96.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 469.000
• 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