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

CAS: 202855-56-9 Cat. No.: B607939 분자식: C₂₃H₃₁FO 분자량: 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

개요

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

동의어

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

사양 및 순도

Moligand™, ≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

ANTAGONIST

작동 메커니즘

Antagonist of glukagon receptor

순수함

≥98%

이름과 식별자

Pubchem Sid

528763392

정식 스마일

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

이성체 SMILES

CCCC1=C(C(=C(C=C1C(C)C)C(C)C)C(C)O)C2=CC=C(C=C2)F

분자량

342.49

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 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