WAY-297357 - 10mM in DMSO , CAS No.312943-99-0

CAS: 312943-99-0 Cat. No.: W423228 分子式: C₂₂H₁₉N₃O₅ 分子量: 405.40336 PubChem CID: 1104081

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

SIRT1 Activators

Specifications

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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。

製品の性質

ALogP

3.061

HBD数

1

回転可能な結合

6

名前と識別子

パブケム・シド

528767775

カノニカル・スマイル

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC=N4

IUPAC Name

3,4,5-trimethoxy-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide

InChIKey

LJLACXSBCYAOIH-UHFFFAOYSA-N

INCHI

1S/C22H19N3O5/c1-27-17-11-14(12-18(28-2)19(17)29-3)21(26)24-15-7-4-6-13(10-15)22-25-20-16(30-22)8-5-9-23-20/h4-12H,1-3H3,(H,24,26)

異性体SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC=N4

PubChem CID

1104081

分子量

405.40336

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Phenyl-1,3-oxazoles Benzamides Oxazolopyridines Anisoles Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzanilide - Phenyl-1,3-oxazole - Benzamide - Benzoic acid or derivatives - 1,3-oxazolopyridine - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridine - Azole - Oxazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

作用メカニズム

化学的性質と物理的性質

• DMSO（mM） 最大溶解度: 10
• 分子量: 405.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 405.132 Da
• Monoisotopic Mass: 405.132 Da
• Topological Polar Surface Area: 95.700 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 565.000
• 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