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

CAS: 345893-91-6 Cat. No.: S287171 분자식: C₁₄H₁₅N₃O₃ 분자량: 273.29 EC 번호: 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

동의어

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

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

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.

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥98%

이름과 식별자

• Pubchem Sid: 528767233
• 정식 스마일: 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
• 이성체 SMILES: CC1=CC(=O)N(C(=C1C(=NC2=CC=CC=C2N)C)O)O
• WGK 독일: 3
• PubChem CID: 135484493
• 분자량: 273.29

Taxonomic Classification

Taxonomy Tree

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

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

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 27.32, Max Conc. mM: 100
• 분자량: 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