BM212 - ≥98% , CAS No.146204-42-4

CAS: 146204-42-4 Cat. No.: B412397 分子式: C₂₃H₂₅Cl₂N₃ 分子量: 414.37

GRADE & PURITY ≥98%

Synonyms

BM212 cpd | U9HSU4GZWL | BS-15436 | HY-100725 | SCHEMBL1452627 | BM212 | BM-212 | AKOS032944899 | BCP24821 | 1-((1,5-Bis(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl)methyl)-4-methylpiperazine | UNII-U9HSU4GZWL | 1-{[1,5-bis(4-chlorophenyl)-2-methyl-1h-pyrrol-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

BM212 is a potent inhibitor of the intracellular mycobacteria, exerting bactericidal activity against intracellular bacilli residing.

Specifications

同義語

BM212 cpd | U9HSU4GZWL | BS-15436 | HY-100725 | SCHEMBL1452627 | BM212 | BM-212 | AKOS032944899 | BCP24821 | 1-((1,5-Bis(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl)methyl)-4-methylpiperazine | UNII-U9HSU4GZWL | 1-{[1,5-bis(4-chlorophenyl)-2-methyl-1h-pyrrol-

仕様と純度

≥98%

生化学的・生理学的メカニズム

BM212 is a potent inhibitor of the intracellular mycobacteria, exerting bactericidal activity against intracellular bacilli residing.

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%

名前と識別子

• パブケム・シド: 528763455
• カノニカル・スマイル: CC1=C(C=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)CN4CCN(CC4)C
• IUPAC Name: 1-[[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl]-4-methylpiperazine
• InChIKey: YWZIODCWLMCMMW-UHFFFAOYSA-N
• INCHI: 1S/C23H25Cl2N3/c1-17-19(16-27-13-11-26(2)12-14-27)15-23(18-3-5-20(24)6-4-18)28(17)22-9-7-21(25)8-10-22/h3-10,15H,11-14,16H2,1-2H3
• 異性体SMILES: CC1=C(C=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)CN4CCN(CC4)C
• 分子量: 414.37
• Reaxy-Rn: 5830903
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5830903&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Pyrroles
      • Subclass Substituted pyrroles
        • Level5 Phenylpyrroles
          • Level6 Diphenylpyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Phenylpyrroles
• Direct Parent: Diphenylpyrroles
• Alternative Parents: N-methylpiperazines Chlorobenzenes Aralkylamines Aryl chlorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,2-diphenylpyrrole - Chlorobenzene - Halobenzene - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylpyrroles. These are aromatic heterocyclic compounds with a structure based on a pyrrole ring linked to exactly 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

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Mycolicibacterium aurum (354 Activities)

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作用メカニズム

化学的性質と物理的性質

• 分子量: 414.400 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 413.143 Da
• Monoisotopic Mass: 413.143 Da
• Topological Polar Surface Area: 11.400 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 480.000
• 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