Adomeglivant - Moligand™, 10mM in DMSO , Antagonist of glukagon receptor, CAS No.1488363-78-5, Antagonist of glukagon receptor

CAS: 1488363-78-5 Cat. No.: A421743 Summenformel: C₃₂H₃₆F₃NO₄ Molekulargewicht: 555.63

GRADE & PURITY Moligand™, 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Information

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

Targets

Glukagon Receptor

Specifications

Synonyme

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

Spezifikationen & Reinheit

Moligand™, 10mM in DMSO

Biochemische und physiologische Mechanismen

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 -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Antagonist of glukagon receptor

Produkteigenschaften

• ALogP: 7.839
• hba_count: 3
• HBD-Zahl: 1
• Rotationsfähige Bindung: 12

Namen und Kennungen

• Pubchem Sid: 528763264
• Kanonisches Lächeln: 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
• Isomere 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
• Alternative CAS-Nummer: 872260-20-3,1488363-78-5
• MeSH-Eintrag: (+)-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
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mg/ml) Maximale Löslichkeit: 100
• DMSO (mM) Maximale Löslichkeit: 179.975883231647
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 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