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

CAS: 169281-53-2 Cat. No.: L648036 分子式: C₃₁H₃₈N₄O₄S 分子量: 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

概要

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

同義語

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

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

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

保管条件

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

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

ANTAGONIST

純度

≥98%

名前と識別子

• カノニカル・スマイル: 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)
• 異性体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
• 分子量: 562.72

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive
• 分子量: 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