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Bisantrene

CAS No.:
78186-34-2
Catalog Number:
AG00G2FI
Molecular Formula:
C22H22N8
Molecular Weight:
398.4637
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
95%
1 week
United States
$148
- +
25mg
95%
1 week
United States
$257
- +
50mg
95%
1 week
United States
$390
- +
Product Description
Catalog Number:
AG00G2FI
Chemical Name:
Bisantrene
CAS Number:
78186-34-2
Molecular Formula:
C22H22N8
Molecular Weight:
398.4637
MDL Number:
MFCD00872137
IUPAC Name:
N-[(E)-[10-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
InChI:
InChI=1S/C22H22N8/c1-2-6-16-15(5-1)19(13-27-29-21-23-9-10-24-21)17-7-3-4-8-18(17)20(16)14-28-30-22-25-11-12-26-22/h1-8,13-14H,9-12H2,(H2,23,24,29)(H2,25,26,30)/b27-13+,28-14+
InChI Key:
NJSMWLQOCQIOPE-OCHFTUDZSA-N
SMILES:
C1CN=C(N1)N/N=C/c1c2ccccc2c(c2c1cccc2)/C=N/NC1=NCCN1
UNII:
39C34M111K
Properties
Complexity:
630  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
398.197g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
398.474g/mol
Monoisotopic Mass:
398.197g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorganic & medicinal chemistry letters 20101215
Remarkable interference with telomeric function by a G-quadruplex selective bisantrene regioisomer. Biochemical pharmacology 20100615
meso-Substituted bisanthenes as soluble and stable near-infrared dyes. The Journal of organic chemistry 20100205
Screening of 397 chemicals and development of a quantitative structure--activity relationship model for androgen receptor antagonism. Chemical research in toxicology 20080401
Anti-tumour effects of HL-37, a novel anthracene derivative, in-vivo and in-vitro. The Journal of pharmacy and pharmacology 20080201
In silico identification and biochemical characterization of novel inhibitors of NQO1. Bioorganic & medicinal chemistry letters 20061215
Mouse breast cancer resistance protein (Bcrp1/Abcg2) mediates etoposide resistance and transport, but etoposide oral availability is limited primarily by P-glycoprotein. Cancer research 20030315
A randomized trial of doxorubicin, mitoxantrone and bisantrene in advanced breast cancer (a South West Oncology Group Study). Investigational new drugs 19850101
Properties