BM212 - ≥98% , CAS No.146204-42-4

CAS: 146204-42-4 Cat. No.: B412397 분자식: C₂₃H₂₅Cl₂N₃ 분자량: 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

개요

Information

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

Specifications

동의어

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-

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

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

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

• Pubchem Sid: 528763455
• 정식 스마일: 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
• 이성체 SMILES: CC1=C(C=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)CN4CCN(CC4)C
• 분자량: 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
    • 분류 Pyrroles
      • Subclass Substituted pyrroles
        • Level5 Phenylpyrroles
          • Level6 Diphenylpyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

SLC6A4 Tclin Serotonin transporter (12625 Activities)

Discover Target: SLC6A4

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HepG2 (196354 Activities)

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관련 대상(비인간)

Mycobacterium avium (4587 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mycobacterium tuberculosis (203094 Activities)

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Mycobacterium gordonae (69 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mycobacterium marinum (465 Activities)

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Mycolicibacterium smegmatis (8003 Activities)

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Mus musculus (284745 Activities)

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RAW264.7 (28094 Activities)

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Vero (26788 Activities)

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Mycolicibacterium aurum (354 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 분자량: 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