Clofazimine - Moligand™, 10mM in DMSO , CAS No.2030-63-9

CAS: 2030-63-9 Cat. No.: C422470 Peso molecular: 473.4 Número EC: 217-980-2

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

BSPBio_000531 | CLOFAZIMINE [EP MONOGRAPH] | WDQPAMHFFCXSNU-KRUMMXJUSA-N | Clofazimine [USAN:USP:INN:BAN] | Phenazine, 3-(p-chloroanilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)- | CCG-269477 | CPD000058704 | CLOFAZIMINE [USP IMPURITY] | D959

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Clofazimine is a rhimophenazine dye, originally developed for the treatment of tuberculosis, it has both antimicrobial and antiinflammatory activity, postulated mechanisms of action include intercalation of clofazimine with bacterial DNA and increasing levels of cellular phospholipase A2.

Specifications

Sinónimos

BSPBio_000531 | CLOFAZIMINE [EP MONOGRAPH] | WDQPAMHFFCXSNU-KRUMMXJUSA-N | Clofazimine [USAN:USP:INN:BAN] | Phenazine, 3-(p-chloroanilino)-10-(p-chlorophenyl)-2, 10-dihydro-2-(isopropylimino)- | CCG-269477 | CPD000058704 | CLOFAZIMINE [USP IMPURITY] | D959

Especificaciones y pureza

Moligand™, 10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Grado

Moligand™

Propiedades del producto

• ALogP: 7.1

Nombres e identificadores

• Sonrisas canónicas: CC(C)N=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl
• IUPAC Name: N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine
• InChIKey: WDQPAMHFFCXSNU-UHFFFAOYSA-N
• INCHI: 1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3
• Isómeros SMILES: CC(C)N=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl
• WGK Alemania: 3
• RTECS: SG1578000
• CAS alternativo: 2030-63-9
• Número NSC: 141046
• Términos de entrada MeSH: B 663;B-663;B663;Clofazimine;G 30,320;G-30,320;G30,320;Lamprene;N,5-Bis(4-chlorophenyl)-3,5-dihydro-3-((1-methylethyl)imino)-2-phenazinamine
• Peso molecular: 473.4
• Reaxy-Rn: 8168151
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8168151&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Benzodiazines
        • Level5 Quinoxalines
          • Level6 Phenazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Quinoxalines
• Direct Parent: Phenazines and derivatives
• Alternative Parents: Aniline and substituted anilines Chlorobenzenes Pyrazines Aryl chlorides Secondary ketimines Heteroaromatic compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenazine - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrazine - Heteroaromatic compound - Secondary ketimine - Azacycle - Secondary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenazines and derivatives. These are polycyclic aromatic compounds containing a phenazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a pyrazine ring.
• External Descriptors: phenazines - monochlorobenzenes

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

Propiedades químicas y físicas

• Punto de fusión (°C): 219 °C
• Peso molecular: 473.400 g/mol
• XLogP3: 7.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 472.122 Da
• Monoisotopic Mass: 472.122 Da
• Topological Polar Surface Area: 40.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 829.000
• 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

Referencias

1. Pusheng Xu, Yi Li, Bihan Xu, Dan Cao, Xu Dong, Yanghui Xiang, Xiuzhi Jiang, Xin Yuan, Yuwei Qiu, Ying Zhang.  (2025)  Novel mutations in the marR gene (MAB_2648c) modify nitroxoline activity in Mycobacterium abscessus.  ANTIMICROBIAL AGENTS AND CHEMOTHERAPY,  69  (5):   [PMID:40167421] [10.1128/aac.01744-24]