NDMC101 - ≥98% , CAS No.1308631-40-4

CAS: 1308631-40-4 Cat. No.: N412581 Formula: C₁₃H₉ClFNO₂ Molecular Weight: 265.67 EC Number: 808-917-5

GRADE & PURITY ≥98%

Synonyms

HS-Cm | A900355 | NCGC00402296-03 | AS-16724 | AKOS009125225 | 1308631-40-4 | SCHEMBL12099327 | ndmc101 | NDMC101, >=98% (HPLC) | NUQWCDAXACRITO-UHFFFAOYSA-N | HY-124958 | NSC812943 | NSC-812943 | N-(4-chloro-2-fluorophenyl)-2-hydroxybenzamide | N-(4-chlo

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

NDMC101 is a potent inhibitor of osteoclastogenesis that inhibits osteoclast differentiation via down-regulation of NFATc1-modulated gene express. NDMC101 is also a significant inhibitor of early T-cell activation via DPP4 inhibition.NDMC101 is a potent osteoclastogenesis inhibitor and inhibits osteoclast differentiation via down-regulation of NFATc1-modulated gene expression. NDMC101 is similar to the DPP4 substrate and is a significant inhibitor of early T-cell activation via DPP4 inhibition. NDMC101can be used for study of bone disorders, such as rheumatoid arthritis, and synovial inflammation et al。

Specifications

Synonyms

HS-Cm | A900355 | NCGC00402296-03 | AS-16724 | AKOS009125225 | 1308631-40-4 | SCHEMBL12099327 | ndmc101 | NDMC101, >=98% (HPLC) | NUQWCDAXACRITO-UHFFFAOYSA-N | HY-124958 | NSC812943 | NSC-812943 | N-(4-chloro-2-fluorophenyl)-2-hydroxybenzamide | N-(4-chlo

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

NDMC101 is a potent inhibitor of osteoclastogenesis that inhibits osteoclast differentiation via down-regulation of NFATc1-modulated gene express. NDMC101 is also a significant inhibitor of early T-cell activation via DPP4 inhibition.NDMC101 (HS Cm) is a

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504771808
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771808
• Canonical Smiles: C1=CC=C(C(=C1)C(=O)NC2=C(C=C(C=C2)Cl)F)O
• IUPAC Name: N-(4-chloro-2-fluorophenyl)-2-hydroxybenzamide
• InChIKey: NUQWCDAXACRITO-UHFFFAOYSA-N
• INCHI: 1S/C13H9ClFNO2/c14-8-5-6-11(10(15)7-8)16-13(18)9-3-1-2-4-12(9)17/h1-7,17H,(H,16,18)
• Isomeric SMILES: C1=CC=C(C(=C1)C(=O)NC2=C(C=C(C=C2)Cl)F)O
• Molecular Weight: 265.67
• Reaxy-Rn: 22843942
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22843942&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Salicylamides Benzamides Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Vinylogous acids Secondary carboxylic acid amides Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organooxygen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Salicylic acid or derivatives - Salicylamide - Benzamide - Benzoic acid or derivatives - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 265.670 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 265.031 Da
• Monoisotopic Mass: 265.031 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 303.000
• 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