SUN-B 8155 - ≥98% , CAS No.345893-91-6

CAS: 345893-91-6 Cat. No.: S287171 分子式: C₁₄H₁₅N₃O₃ 分子量: 273.29 EC番号: 636-462-0 PubChem CID: 135484493

GRADE & PURITY ≥98%

Synonyms

HMS3414P15 | J-019664 | 5-[1-[(2-Aminophenyl)imino]ethyl]-1,6-dihydroxy-4-methyl-2(1H)-pyridinone | 5-(1-((2-Aminophenyl)imino)ethyl)-1,6-dihydroxy-4-methylpyridin-2(1H)-one | SUN B8155 | HMS3678P13 | 5-{1-[(2-aminophenyl)imino]ethyl}-1,6-dihydroxy-4-meth

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

HMS3414P15 | J-019664 | 5-[1-[(2-Aminophenyl)imino]ethyl]-1,6-dihydroxy-4-methyl-2(1H)-pyridinone | 5-(1-((2-Aminophenyl)imino)ethyl)-1,6-dihydroxy-4-methylpyridin-2(1H)-one | SUN B8155 | HMS3678P13 | 5-{1-[(2-aminophenyl)imino]ethyl}-1,6-dihydroxy-4-meth

仕様と純度

≥98%

生化学的・生理学的メカニズム

Non-peptide calcitonin (CT) receptor agonist that fully stimulates cAMP production in CHO/hCTR cells (EC50= 21μM). Causes a significant reduction in serum calcium concentrationsin vivofollowing i.p. administration.

保管条件

Store at 2-8°C

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。

純度

≥98%

名前と識別子

• パブケム・シド: 528767233
• カノニカル・スマイル: CC1=CC(=O)N(C(=C1C(=NC2=CC=CC=C2N)C)O)O
• IUPAC Name: 5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-1,6-dihydroxy-4-methylpyridin-2-one
• InChIKey: SGJLINMLDNLWOS-UHFFFAOYSA-N
• INCHI: 1S/C14H15N3O3/c1-8-7-12(18)17(20)14(19)13(8)9(2)16-11-6-4-3-5-10(11)15/h3-7,19-20H,15H2,1-2H3
• 異性体SMILES: CC1=CC(=O)N(C(=C1C(=NC2=CC=CC=C2N)C)O)O
• WGKドイツ: 3
• PubChem CID: 135484493
• 分子量: 273.29

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Pyridinones Methylpyridines Hydroxypyridines Dihydropyridines Secondary ketimines Heteroaromatic compounds Azomethines Lactams Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aniline or substituted anilines - Methylpyridine - Hydroxypyridine - Pyridinone - Dihydropyridine - Pyridine - Hydropyridine - Heteroaromatic compound - Secondary ketimine - Azomethine - Lactam - Ketimine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Imine - Amine - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 27.32, Max Conc. mM: 100
• 分子量: 273.290 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 273.111 Da
• Monoisotopic Mass: 273.111 Da
• Topological Polar Surface Area: 99.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 508.000
• 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