hGCGR Antagonist - Moligand™, ≥95% , Antagonist of glukagon receptor, CAS No.438618-32-7, Antagonist of glukagon receptor

CAS: 438618-32-7 Cat. No.: G338729 Molecular Weight: 346.5

GRADE & PURITY Moligand™, ≥95%

Synonyms

MFCD01920208 | NCGC00340210-02 | AKOS017343007 | N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide | hGCGR Antagonist | DTXSID70347212 | GTPL1148 | STK315567 | BDBM50161494 | Benzothiophene-3-carbonitrile, 4,5,6,

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Glukagon Receptor Antagonist I is a potent and selective cell-permeable thienyl-amide compound that acts as a competitive antagonist of the Glukagon receptor. Exhibits binding to hGCGR with high affinity and prevents its interaction with Glukagon (IC|50|= 181 nM, K|DB|= 81 nM, and pA2 = 7.1 in membranes prepared from CHO-hGCGR). Also suppresses Glukagon-induced glycogenolysis in human primary hepatocytes and in mice (50 mg/kg, ip).

Specifications

Synonyms

MFCD01920208 | NCGC00340210-02 | AKOS017343007 | N-[3-cyano-6-(2-methylbutan-2-yl)-4, 5, 6, 7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide | hGCGR Antagonist | DTXSID70347212 | GTPL1148 | STK315567 | BDBM50161494 | Benzothiophene-3-carbonitrile, 4, 5, 6,

Specifications & Purity

Moligand™, ≥95%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of glukagon receptor

Purity

≥95%

Product Properties

• pKa: pKₐ: 13.46

Names and Identifiers

• Canonical Smiles: CCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)CC)C#N
• IUPAC Name: N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-ethylbutanamide
• InChIKey: SWIBDWBSJSJQHL-UHFFFAOYSA-N
• INCHI: 1S/C20H30N2OS/c1-6-13(7-2)18(23)22-19-16(12-21)15-10-9-14(11-17(15)24-19)20(4,5)8-3/h13-14H,6-11H2,1-5H3,(H,22,23)
• Isomeric SMILES: CCC(CC)C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)CC)C#N
• Molecular Weight: 346.5
• Reaxy-Rn: 9944608
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9944608&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass N-arylamides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: N-arylamides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylamides
• Alternative Parents: Fatty amides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylamide - Fatty amide - Fatty acyl - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-arylamides. These are organic compounds that contain a carboxamide group that is N-linked to a aryl group. They have the generic structure RC(=O)N(R')H, R = organyl group 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

Associated Targets(Human)

GCGR Tclin Glucagon receptor (2 Activities)

Discover Target: GCGR

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

GCGR Tclin Glucagon receptor (2563 Activities)

Discover Target: GCGR

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

Associated Targets(non-human)

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: Soluble in DMSO (5 mg/ml), and methanol (5 mg/ml).
• Refractive Index: n20D1.54 (Predicted)
• Boil Point(°C): 517.78° C at 760 mmHg (Predicted)
• Melt Point(°C): 212.68° C (Predicted)
• Molecular Weight: 346.500 g/mol
• XLogP3: 6.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 346.208 Da
• Monoisotopic Mass: 346.208 Da
• Topological Polar Surface Area: 81.100 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 491.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1