Adomeglivant - Moligand™, ≥98% , Antagonist of glukagon receptor, CAS No.1488363-78-5, Antagonist of glukagon receptor

CAS: 1488363-78-5 Cat. No.: A412451 Molecular Weight: 555.63

GRADE & PURITY Moligand™, ≥98%

Synonyms

F85410 | AKOS040741049 | FASLTMSUPQDLIB-MHZLTWQESA-N | A858152 | ADOMEGLIVANT [WHO-DD] | .BETA.-ALANINE, N-(4-((1S)-1-((4'-(1,1-DIMETHYLETHYL)-2,6-DIMETHYL(1,1'-BIPHENYL)-4-YL)OXY)-4,4,4-TRIFLUOROBUTYL)BENZOYL)- | MS-30128 | UNII-74Z5ZL2KVG | 1488363-78-5

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Adomeglivant Adomeglivant (LY2409021) is a potent and selective antagonist of glukagon receptor that is used as a chronic treatment for type 2 diabetes.

Adomeglivant (LY2409021) is a potent, selective glukagon receptor (GluR) allosteric antagonist. Adomeglivant is widely used in the research for type 2 diabetes mellitus.

Targets

Glukagon Receptor

Specifications

Synonyms

F85410 | AKOS040741049 | FASLTMSUPQDLIB-MHZLTWQESA-N | A858152 | ADOMEGLIVANT [WHO-DD] | .BETA.-ALANINE, N-(4-((1S)-1-((4'-(1, 1-DIMETHYLETHYL)-2, 6-DIMETHYL(1, 1'-BIPHENYL)-4-YL)OXY)-4, 4, 4-TRIFLUOROBUTYL)BENZOYL)- | MS-30128 | UNII-74Z5ZL2KVG | 1488363-78-5

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Adomeglivant (LY2409021) is a potent and selective antagonist of glukagon receptor that is used as a chronic treatment for type 2 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.

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of glukagon receptor

Purity

≥98%

Product Properties

• ALogP: 7.839
• hba_count: 3
• HBD Count: 1
• Rotatable Bond: 12

Names and Identifiers

• Pubchem Sid: 488202541
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202541
• Canonical Smiles: CC1=CC(=CC(=C1C2=CC=C(C=C2)C(C)(C)C)C)OC(CCC(F)(F)F)C3=CC=C(C=C3)C(=O)NCCC(=O)O
• IUPAC Name: 3-[[4-[(1S)-1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]-4,4,4-trifluorobutyl]benzoyl]amino]propanoic acid
• InChIKey: FASLTMSUPQDLIB-MHZLTWQESA-N
• INCHI: 1S/C32H36F3NO4/c1-20-18-26(19-21(2)29(20)23-10-12-25(13-11-23)31(3,4)5)40-27(14-16-32(33,34)35)22-6-8-24(9-7-22)30(39)36-17-15-28(37)38/h6-13,18-19,27H,14-17H2,1-5H3,(H,36,39)(H,37,38)/t27-/m0/s1
• Isomeric SMILES: CC1=CC(=CC(=C1C2=CC=C(C=C2)C(C)(C)C)C)O[C@@H](CCC(F)(F)F)C3=CC=C(C=C3)C(=O)NCCC(=O)O
• Alternate CAS: 872260-20-3,1488363-78-5
• MeSH Entry Terms: (+)-adomeglivant;(+-)-adomeglivant;(-)-adomeglivant;3-(4-((1R)-1-((4'-tert-butyl-2,6-dimethylbiphenyl-4-yl)oxy)-4,4,4-trifluorobutyl)benzamido)propanoic acid;3-(4-((1S)-1-((4'-tert-butyl-2,6-dimethylbiphenyl-4-yl)oxy)-4,4,4-trifluorobutyl)benzamido)propan
• Molecular Weight: 555.63
• Reaxy-Rn: 12479521
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12479521&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Beta amino acids and derivatives Benzamides Phenylpropanes m-Xylenes Benzoyl derivatives Phenol ethers Phenoxy compounds Alkyl aryl ethers Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides Organonitrogen compounds Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Beta amino acid or derivatives - Benzamide - Benzoic acid or derivatives - Phenylpropane - Phenoxy compound - M-xylene - Xylene - Benzoyl - Phenol ether - Alkyl aryl ether - Secondary carboxylic acid amide - Carboxamide group - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organohalogen compound - Alkyl fluoride - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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 (1 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)

Mus musculus (284745 Activities)

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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

SARS-CoV-2 (38078 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

• Solubility: Solubility (25°C) In vitro DMSO: 100 mg/mL (179.97 mM); Ethanol: 100 mg/mL (179.97 mM); Water: Insoluble
• DMSO(mg / mL) Max Solubility: 100
• DMSO(mM) Max Solubility: 179.975883231647
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 555.600 g/mol
• XLogP3: 8.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 555.26 Da
• Monoisotopic Mass: 555.26 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 798.000
• 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