GPR40 Activator 1 - ≥98% , CAS No.1309435-60-6

CAS: 1309435-60-6 Cat. No.: G650461 Molecular Weight: 497.65 PubChem CID: 52936292

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

GPR40 Activator 1 is a potent GPR40 activator for treatment of type 2 diabetes.IC50 value:Target: GPR40Preparation of spiropiperidine derivatives for use as antidiabetic agentsBy Hamdouchi, Chafiq; Lineswala, Jayana Pankaj; Maiti, PranabFrom PCT Int. Appl. (2011), WO 2011066183 A1 20110603.

Form:Solid

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

GPR40 Activator 1 is a potent GPR40 activator for treatment of type 2 diabetes.\nIC50 value:\nTarget: GPR40\nPreparation of spiropiperidine derivatives for use as antidiabetic agents\nBy Hamdouchi, Chafiq; Lineswala, Jayana Pankaj; Maiti, Pranab \nFrom P

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

ACTIVATOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC#CC(CC(=O)O)C1=CC=C(C=C1)OCC2=CC=C(S2)CN3CCC4(CC3)C=CC5=CC=CC=C45
• IUPAC Name: (3S)-3-[4-[[5-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)thiophen-2-yl]methoxy]phenyl]hex-4-ynoic acid
• InChIKey: YSVQUSMRABAJAR-VWLOTQADSA-N
• INCHI: 1S/C31H31NO3S/c1-2-5-25(20-30(33)34)23-8-10-26(11-9-23)35-22-28-13-12-27(36-28)21-32-18-16-31(17-19-32)15-14-24-6-3-4-7-29(24)31/h3-4,6-15,25H,16-22H2,1H3,(H,33,34)/t25-/m0/s1
• Isomeric SMILES: CC#C[C@@H](CC(=O)O)C1=CC=C(C=C1)OCC2=CC=C(S2)CN3CCC4(CC3)C=CC5=CC=CC=C45
• PubChem CID: 52936292
• Molecular Weight: 497.65

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: Indenes and isoindenes Medium-chain fatty acids Phenol ethers Phenoxy compounds Alkyl aryl ethers 2,5-disubstituted thiophenes Heterocyclic fatty acids Aralkylamines Unsaturated fatty acids Piperidines Heteroaromatic compounds Amino acids Trialkylamines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-phenylpropanoic-acid - Indene - Phenoxy compound - Phenol ether - Medium-chain fatty acid - Alkyl aryl ether - Heterocyclic fatty acid - 2,5-disubstituted thiophene - Aralkylamine - Monocyclic benzene moiety - Piperidine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Heteroaromatic compound - Thiophene - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - 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

Associated Targets(Human)

FFAR1 Tchem Free fatty acid receptor 1 (5 Activities)

Discover Target: FFAR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

Discover Target: PPARG

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

PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

Discover Target: PPARA

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

Associated Targets(non-human)

Ppard Peroxisome proliferator-activated receptor delta (358 Activities)

Discover Target: Ppard

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

Mus musculus (284745 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: 497.600 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 497.202 Da
• Monoisotopic Mass: 497.202 Da
• Topological Polar Surface Area: 78.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 842.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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