TM 5275 sodium salt - ≥98%(HPLC) , CAS No.1103926-82-4

CAS: 1103926-82-4 Cat. No.: T287019 Peso molecular: 543.97 Número EC: 110-176-1 PubChem CID: 53240409

GRADE & PURITY ≥98%(HPLC)

Synonyms

5-Chloro-2-[[2-[2-[4-(Diphenylmethyl)-1-piperazinyl]-2-oxoethoxy]acetyl]amino]benzoic acid sodium salt | 2-[2-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethoxy]acetamido]-5-chlorobenzoic acid sodium salt, 5-Chloro--[[2-[2-[4-(diphenylmethyl)-1-piperazinyl]-2-ox

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

5-Chloro-2-[[2-[2-[4-(Diphenylmethyl)-1-piperazinyl]-2-oxoethoxy]acetyl]amino]benzoic acid sodium salt | 2-[2-[2-(4-Benzhydrylpiperazin-1-yl)-2-oxoethoxy]acetamido]-5-chlorobenzoic acid sodium salt, 5-Chloro--[[2-[2-[4-(diphenylmethyl)-1-piperazinyl]-2-ox

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Plasminogen activator inhibitor-1 (PAI-1) inhibitor. Orally bioavailable.TMS5275 is an orally available, potent and selective inhibitor of PAI-1 that delivers antithrombotic benefits devoid of bleeding effect in nonhuman primates.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504771112
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771112
• Sonrisas canónicas: C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)COCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)[O-].[Na+]
• IUPAC Name: sodium;2-[[2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]acetyl]amino]-5-chlorobenzoate
• InChIKey: JSHSGBIWNPQCQZ-UHFFFAOYSA-M
• INCHI: 1S/C28H28ClN3O5.Na/c29-22-11-12-24(23(17-22)28(35)36)30-25(33)18-37-19-26(34)31-13-15-32(16-14-31)27(20-7-3-1-4-8-20)21-9-5-2-6-10-21;/h1-12,17,27H,13-16,18-19H2,(H,30,33)(H,35,36);/q;+1/p-1
• Isómeros SMILES: C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)COCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)[O-].[Na+]
• PubChem CID: 53240409
• Peso molecular: 543.97

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Acylaminobenzoic acid and derivatives Halobenzoic acids 3-halobenzoic acids Anilides Benzoic acids Benzoyl derivatives N-arylamides Aralkylamines N-alkylpiperazines Chlorobenzenes Aryl chlorides Vinylogous amides Tertiary carboxylic acid amides Secondary carboxylic acid amides Amino acids Carboxylic acid salts Trialkylamines Organic metal halides Azacyclic compounds Dialkyl ethers Carboxylic acids Hydrocarbon derivatives Organochlorides Organic zwitterions Organic sodium salts Organic oxides Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Acylaminobenzoic acid or derivatives - Diphenylmethane - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid or derivatives - Anilide - Benzoic acid - Benzoyl - N-arylamide - Halobenzene - Aralkylamine - Chlorobenzene - N-alkylpiperazine - Piperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Tertiary carboxylic acid amide - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxylic acid salt - Tertiary amine - Amino acid - Organic metal halide - Azacycle - Organic alkali metal salt - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxide - Amine - Organic sodium salt - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic salt - Organic zwitterion - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 54.4, Max Conc. mM: 100
• Sensibilidad: Moisture sensitive
• Peso molecular: 544.000 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 543.154 Da
• Monoisotopic Mass: 543.154 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 752.000
• 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: 2

XLogP3