BAY27-9955 - Moligand™, ≥98% , Antagonist of glukagon receptor, CAS No.202855-56-9, Antagonist of glukagon receptor

CAS: 202855-56-9 Cat. No.: B607939 Molecular Weight: 342.49

GRADE & PURITY Moligand™, ≥98%

Synonyms

BAY-279955 | BAY-27-9955 | BAY27-9955 | UNII-8YYY3F3G47 | 1-(4'-fluoro-3,5-diisopropyl-6-propyl-[1,1'-biphenyl]-2-yl)ethanol | AKOS040750708 | GTPL3491 | 1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol | (1,1'-BIPHENYL)-2-METHANOL, 4'-FLU

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

BAY-27-9955 is an non-peptide glucagon receptor antagonist. Bay 27-9955 competitively blocks the interaction of glucagon with the human glucagonreceptor at an IC50 value of 110 nM. BAY-27-9955 can be used for the study of type 2 diabetes. 

Specifications

Synonyms

BAY-279955 | BAY-27-9955 | BAY27-9955 | UNII-8YYY3F3G47 | 1-(4'-fluoro-3, 5-diisopropyl-6-propyl-[1, 1'-biphenyl]-2-yl)ethanol | AKOS040750708 | GTPL3491 | 1-[2-(4-fluorophenyl)-4, 6-di(propan-2-yl)-3-propylphenyl]ethanol | (1, 1'-BIPHENYL)-2-METHANOL, 4'-FLU

Specifications & Purity

Moligand™, ≥98%

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%

Names and Identifiers

• Canonical Smiles: CCCc1c(cc(c(c1c1ccc(cc1)F)C(O)C)C(C)C)C(C)C
• IUPAC Name: 1-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)-3-propylphenyl]ethanol
• InChIKey: VDTWKXAPIQBOMO-UHFFFAOYSA-N
• INCHI: 1S/C23H31FO/c1-7-8-19-20(14(2)3)13-21(15(4)5)22(16(6)25)23(19)17-9-11-18(24)12-10-17/h9-16,25H,7-8H2,1-6H3
• Isomeric SMILES: CCCC1=C(C(=C(C=C1C(C)C)C(C)C)C(C)O)C2=CC=C(C=C2)F
• Molecular Weight: 342.49

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: Monocyclic monoterpenoids Aromatic monoterpenoids Phenylpropanes Cumenes Fluorobenzenes Aryl fluorides Secondary alcohols Organofluorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Cumene - Phenylpropane - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Secondary alcohol - Organohalogen compound - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxygen compound - Organofluoride - Organooxygen 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 (0 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 342.500 g/mol
• XLogP3: 6.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 342.236 Da
• Monoisotopic Mass: 342.236 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 386.000
• 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