KM91104 - ≥98%(HPLC) , CAS No.304481-60-5

CAS: 304481-60-5 Cat. No.: K135069 分子式: C₁₄H₁₂N₂O₄ 分子量: 272.26 EC番号: 803-590-5

GRADE & PURITY ≥98%(HPLC)

Synonyms

SCHEMBL2318635 | KM 91104 | 3,4-dihydroxy-N'-(2-hydroxybenzylidene)benzohydrazide | 3,4-dihydroxy-N-[(2-hydroxyphenyl)methylideneamino]benzamide | KM91104 | FT-0667083

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Application:
KM 91104 is a cell permeable inhibitor of V-ATPase. KM91104 specifically targets the interaction between V-ATPase subunit A3 and subunit B2.

Specifications

同義語

SCHEMBL2318635 | KM 91104 | 3,4-dihydroxy-N'-(2-hydroxybenzylidene)benzohydrazide | 3,4-dihydroxy-N-[(2-hydroxyphenyl)methylideneamino]benzamide | KM91104 | FT-0667083

仕様と純度

≥98%(HPLC)

保管条件

Store at -20°C

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。

アクションタイプ

INHIBITOR

純度

≥98%(HPLC)

名前と識別子

• パブケム・シド: 504760250
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504760250
• カノニカル・スマイル: C1=CC=C(C(=C1)C=NNC(=O)C2=CC(=C(C=C2)O)O)O
• IUPAC Name: 3,4-dihydroxy-N-[(2-hydroxyphenyl)methylideneamino]benzamide
• InChIKey: GWVYHPUGEQGQSF-UHFFFAOYSA-N
• INCHI: 1S/C14H12N2O4/c17-11-4-2-1-3-10(11)8-15-16-14(20)9-5-6-12(18)13(19)7-9/h1-8,17-19H,(H,16,20)
• 異性体SMILES: C1=CC=C(C(=C1)C=NNC(=O)C2=CC(=C(C=C2)O)O)O
• WGKドイツ: 3
• 分子量: 272.26
• Reaxy-Rn: 15786730
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15786730&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: Catechols Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Carboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Catechol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.
• 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

化学的性質と物理的性質

• 分子量: 272.260 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 272.08 Da
• Monoisotopic Mass: 272.08 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 361.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 304481-60-5, the molecular formula is C14H12N2O4, and the molecular weight is 272.26 g/mol. InChIKey GWVYHPUGEQGQSF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.