AVE 0991 - Moligand™,≥98% , Agonist of MAS1, CAS No.304462-19-9, Agonist of MAS1

CAS: 304462-19-9 Cat. No.: A607818 分子式: C₂₉H₃₂N₄O₅S₂ 分子量: 580.72

GRADE & PURITY Moligand™, ≥98%

Synonyms

A820377 | 2-Thiophenesulfonamide, N-((ethylamino)carbonyl)-3-(4-((5-formyl-4-methoxy-2-phenyl-1H-imidazol-1-yl)methyl)phenyl)-5-(2-methylpropyl)- | AS-55939 | 68JR6NCI7I | AKOS027338221 | 1-ethyl-3-[3-[4-[(5-formyl-4-methoxy-2-phenylimidazol-1-yl)methyl]p

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

概要

AVE 0991 is a nonpeptide and orally active angiotensin-(1-7) receptor agonist with an IC50 of 21 nM.

Specifications

同義語

A820377 | 2-Thiophenesulfonamide, N-((ethylamino)carbonyl)-3-(4-((5-formyl-4-methoxy-2-phenyl-1H-imidazol-1-yl)methyl)phenyl)-5-(2-methylpropyl)- | AS-55939 | 68JR6NCI7I | AKOS027338221 | 1-ethyl-3-[3-[4-[(5-formyl-4-methoxy-2-phenylimidazol-1-yl)methyl]p

仕様と純度

Moligand™,≥98%

保管条件

Store at 2-8°C,Protected from light,Argon charged

入荷

Wet ice

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

AGONIST

作用メカニズム

Agonist of MAS1

純度

≥98%

名前と識別子

• カノニカル・スマイル: CCNC(=O)NS(=O)(=O)C1=C(C=C(S1)CC(C)C)C2=CC=C(C=C2)CN3C(=C(N=C3C4=CC=CC=C4)OC)C=O
• IUPAC Name: 1-ethyl-3-[3-[4-[(5-formyl-4-methoxy-2-phenylimidazol-1-yl)methyl]phenyl]-5-(2-methylpropyl)thiophen-2-yl]sulfonylurea
• InChIKey: QTOZBSNPDCWHPV-UHFFFAOYSA-N
• INCHI: 1S/C29H32N4O5S2/c1-5-30-29(35)32-40(36,37)28-24(16-23(39-28)15-19(2)3)21-13-11-20(12-14-21)17-33-25(18-34)27(38-4)31-26(33)22-9-7-6-8-10-22/h6-14,16,18-19H,5,15,17H2,1-4H3,(H2,30,32,35)
• 異性体SMILES: CCNC(=O)NS(=O)(=O)C1=C(C=C(S1)CC(C)C)C2=CC=C(C=C2)CN3C(=C(N=C3C4=CC=CC=C4)OC)C=O
• 分子量: 580.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: 1,2,4,5-tetrasubstituted imidazoles 2,3,5-trisubstituted thiophenes Sulfonylureas Carbonylimidazoles Aryl-aldehydes Alkyl aryl ethers N-substituted imidazoles Benzene and substituted derivatives Organosulfonic acids and derivatives Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylimidazole - 1,2,4,5-tetrasubstituted imidazole - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Imidazole-4-carbonyl group - Aryl-aldehyde - Sulfonylurea - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Thiophene - Ether - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aldehyde - Organic oxygen compound - Organic oxide - Carbonyl group - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN 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）

MAS1 Tchem Proto-oncogene Mas (2 Activities)

Discover Target: MAS1

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

MAS1 Tchem Proto-oncogene Mas (3 Activities)

Discover Target: MAS1

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）

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

• 溶解度: H2O: <0.1 mg/mL (Insoluble)；DMSO: 30 mg/mL (51.66 mM), Sonication is recommended.
• 感度: light sensitive
• 分子量: 580.700 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 11
• Exact Mass: 580.181 Da
• Monoisotopic Mass: 580.181 Da
• Topological Polar Surface Area: 156.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 931.000
• 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