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BM 212

CAS No.:
146204-42-4
Catalog Number:
AG00ABRY
Molecular Formula:
C23H25Cl2N3
Molecular Weight:
414.3707
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
≥98%
1 week
United States
$214
- +
10mg
≥98%
1 week
United States
$353
- +
Product Description
Catalog Number:
AG00ABRY
Chemical Name:
BM 212
CAS Number:
146204-42-4
Molecular Formula:
C23H25Cl2N3
Molecular Weight:
414.3707
MDL Number:
MFCD30489752
IUPAC Name:
1-[[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl]-4-methylpiperazine
InChI:
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
InChI Key:
YWZIODCWLMCMMW-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)Cc1cc(n(c1C)c1ccc(cc1)Cl)c1ccc(cc1)Cl
UNII:
U9HSU4GZWL
Properties
Complexity:
480  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.143g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.374g/mol
Monoisotopic Mass:
413.143g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
11.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
Literature
Title Journal
Discovery of new leads against Mycobacterium tuberculosis using scaffold hopping and shape based similarity. Bioorganic & medicinal chemistry 20170901
Discovery of a small-molecule antiviral targeting the HIV-1 matrix protein. Bioorganic & medicinal chemistry letters 20130215
Improved BM212 MmpL3 inhibitor analogue shows efficacy in acute murine model of tuberculosis infection. PloS one 20130101
1,5-Diaryl-2-ethyl pyrrole derivatives as antimycobacterial agents: design, synthesis, and microbiological evaluation. European journal of medicinal chemistry 20091101
1,5-Diphenylpyrrole derivatives as antimycobacterial agents. Probing the influence on antimycobacterial activity of lipophilic substituents at the phenyl rings. Journal of medicinal chemistry 20080626
New derivatives of BM212: A class of antimycobacterial compounds based on the pyrrole ring as a scaffold. Mini reviews in medicinal chemistry 20070101
Antimycobacterial agents. Novel diarylpyrrole derivatives of BM212 endowed with high activity toward Mycobacterium tuberculosis and low cytotoxicity. Journal of medicinal chemistry 20060810
New small-molecule synthetic antimycobacterials. Antimicrobial agents and chemotherapy 20050601
Antimycobacterial compounds. Optimization of the BM 212 structure, the lead compound for a new pyrrole derivative class. Bioorganic & medicinal chemistry 20050215
Antimycobacterial compounds. New pyrrole derivatives of BM212. Bioorganic & medicinal chemistry 20040315
Importance of the thiomorpholine introduction in new pyrrole derivatives as antimycobacterial agents analogues of BM 212. Bioorganic & medicinal chemistry 20030220
BM 212 and its derivatives as a new class of antimycobacterial active agents. Current medicinal chemistry 20021101
New pyrrole derivatives as antimycobacterial agents analogs of BM212. Bioorganic & medicinal chemistry letters 19991018
Bactericidal activities of the pyrrole derivative BM212 against multidrug-resistant and intramacrophagic Mycobacterium tuberculosis strains. Antimicrobial agents and chemotherapy 19981101
Properties