LGD-6972 - Moligand™, ≥98% , CAS No.1207989-09-0

CAS: 1207989-09-0 Cat. No.: L647695 Formula: C₄₃H₄₆N₂O₅S Molecular Weight: 702.90 PubChem CID: 44625560

GRADE & PURITY Moligand™, ≥98%

Synonyms

MB-11262 | UNII-6IJ842I0Z2 | DB14779 | HY-12525 | 6IJ842I0Z2 | Ethanesulfonic acid, 2-((4-((2R)-2-(4'-(1,1-dimethylethyl)(1,1'-biphenyl)-4-yl)-3-oxo-3-((2',4',6'-trimethyl(1,1'-biphenyl)-4-yl)amino)propyl)benzoyl)amino)- | SCHEMBL13494501 | (R)-2-(4-(2-(4

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

LGD-6972 is a selective and orally active Glukagon receptor antagonist. LGD-6972 has the potential for type 2 diabetes research.

In Vitro

In vitro, LGD-6972 binds competitively to Glukagon receptor (GCGR) with high affinity and selectivity, suppressing both cAMP and glucose production. They are for reference only.

In Vivo

In vivo, LGD-6972 reduces acute Glukagon-stimulated hyperglycaemia as well as the hyperglycaemia observed in diabetic mouse models. The pharmacological activity of LGD-6972 appears to be mediated primarily by inhibiting Glukagon receptor signaling . They are for reference only.

Form:Solid

Specifications

Synonyms

MB-11262 | UNII-6IJ842I0Z2 | DB14779 | HY-12525 | 6IJ842I0Z2 | Ethanesulfonic acid, 2-((4-((2R)-2-(4'-(1,1-dimethylethyl)(1,1'-biphenyl)-4-yl)-3-oxo-3-((2',4',6'-trimethyl(1,1'-biphenyl)-4-yl)amino)propyl)benzoyl)amino)- | SCHEMBL13494501 | (R)-2-(4-(2-(4

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

LGD-6972 is a selective and active Glukagon receptor antagonist. LGD-6972 has the potential for type 2 diabetes research.

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

ANTAGONIST

Purity

≥98%

Names and Identifiers

Canonical Smiles

CC1=CC(=C(C(=C1)C)C2=CC=C(C=C2)NC(=O)C(CC3=CC=C(C=C3)C(=O)NCCS(=O)(=O)O)C4=CC=C(C=C4)C5=CC=C(C=C5)C(C)(C)C)C

IUPAC Name

2-[[4-[(2R)-2-[4-(4-tert-butylphenyl)phenyl]-3-oxo-3-[4-(2,4,6-trimethylphenyl)anilino]propyl]benzoyl]amino]ethanesulfonic acid

InChIKey

HKJMCBYPVCGZFB-LDLOPFEMSA-N

INCHI

1S/C43H46N2O5S/c1-28-25-29(2)40(30(3)26-28)35-17-21-38(22-18-35)45-42(47)39(27-31-7-9-36(10-8-31)41(46)44-23-24-51(48,49)50)34-13-11-32(12-14-34)33-15-19-37(20-16-33)43(4,5)6/h7-22,25-26,39H,23-24,27H2,1-6H3,(H,44,46)(H,45,47)(H,48,49,50)/t39-/m1/s1

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C2=CC=C(C=C2)NC(=O)[C@H](CC3=CC=C(C=C3)C(=O)NCCS(=O)(=O)O)C4=CC=C(C=C4)C5=CC=C(C=C5)C(C)(C)C)C

Alternate CAS

1207989-09-0

PubChem CID

44625560

MeSH Entry Terms

2-((4-((2R)-2-(4-(4-tert-butylphenyl)phenyl)-3-oxo-3-(4-(2,4,6-trimethylphenyl)anilino)propyl)benzoyl)amino)ethanesulfonic acid;LGD-6972;RVT-1502

Molecular Weight

702.90

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Biphenyls and derivatives Aromatic monoterpenoids Phenylacetamides Monocyclic monoterpenoids Anilides Phenylpropanes Benzamides Benzoyl derivatives N-arylamides Fatty amides Alkanesulfonic acids Sulfonyls Organosulfonic acids Secondary carboxylic acid amides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Biphenyl - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Phenylacetamide - Benzamide - Benzoic acid or derivatives - Anilide - Phenylpropane - N-arylamide - Benzoyl - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Fatty amide - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Alkanesulfonic acid - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organosulfur compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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 : 125 mg/mL (177.83 mM; Need ultrasonic)
• Sensitivity: Light sensitive
• Molecular Weight: 702.900 g/mol
• XLogP3: 8.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 702.313 Da
• Monoisotopic Mass: 702.313 Da
• Topological Polar Surface Area: 121.000 Ų
• Heavy Atom Count: 51
• Formal Charge: 0
• Complexity: 1200.000
• 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