L162389 - Moligand™, ≥98% , CAS No.169281-53-2

CAS: 169281-53-2 Cat. No.: L648036 분자식: C₃₁H₃₈N₄O₄S 분자량: 562.72 PubChem CID: 9850834

GRADE & PURITY Moligand™, ≥98%

Synonyms

Butyl ((4'-((2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)-5-propyl-[1,1'-biphenyl]-2-yl)sulfonyl)carbamate | L-162389 | L 162389 | Carbamic acid, N-[[4'-[(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-5-propyl[1,1'-biphenyl]-2-y

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

개요

L162389 is a potent antagonist of angiotensin AT1 receptor with K i of 28 nM.

In Vitro

L-162,389 stimulates phosphatidylinositol turnover, albeit only to a small percentage of the angiotensin response. L-162,389 acts as angiotensin antagonist with IC 50 value of 105 nM. 

Specifications

동의어

Butyl ((4'-((2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)-5-propyl-[1,1'-biphenyl]-2-yl)sulfonyl)carbamate | L-162389 | L 162389 | Carbamic acid, N-[[4'-[(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]-5-propyl[1,1'-biphenyl]-2-y

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

L162389 is a potent antagonist of angiotensin AT1 receptor with K i of 28 nM.

보관 조건

Protected from light,Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

ANTAGONIST

순수함

≥98%

이름과 식별자

• 정식 스마일: CCCCOC(=O)NS(=O)(=O)C1=C(C=C(C=C1)CCC)C2=CC=C(C=C2)CN3C(=NC4=C3N=C(C=C4C)C)CC
• IUPAC Name: butyl N-[2-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-4-propylphenyl]sulfonylcarbamate
• InChIKey: MLGCITBDCGSKQS-UHFFFAOYSA-N
• INCHI: 1S/C31H38N4O4S/c1-6-9-17-39-31(36)34-40(37,38)27-16-13-23(10-7-2)19-26(27)25-14-11-24(12-15-25)20-35-28(8-3)33-29-21(4)18-22(5)32-30(29)35/h11-16,18-19H,6-10,17,20H2,1-5H3,(H,34,36)
• 이성체 SMILES: CCCCOC(=O)NS(=O)(=O)C1=C(C=C(C=C1)CCC)C2=CC=C(C=C2)CN3C(=NC4=C3N=C(C=C4C)C)CC
• PubChem CID: 9850834
• 분자량: 562.72

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: Benzenesulfonamides Phenylpropanes Imidazopyridines Benzenesulfonyl compounds Methylpyridines N-substituted imidazoles Organosulfonic acids and derivatives Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Biphenyl - Benzenesulfonamide - Imidazopyridine - Benzenesulfonyl group - Phenylpropane - Methylpyridine - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic 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)

AGTR1 Tclin Type-1 angiotensin II receptor (2 Activities)

Discover Target: AGTR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

AGTR2 Tchem Type-2 angiotensin II receptor (5 Activities)

Discover Target: AGTR2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

AGTR1 Tclin Type-1 angiotensin II receptor (5176 Activities)

Discover Target: AGTR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Agtr2 Angiotensin II type 2 (AT-2) receptor (803 Activities)

Discover Target: Agtr2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AGTR1 Angiotensin II type 1a (AT-1a) receptor (440 Activities)

Discover Target: AGTR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 감도: Light sensitive
• 분자량: 562.700 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 562.261 Da
• Monoisotopic Mass: 562.261 Da
• Topological Polar Surface Area: 112.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 904.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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