Home Aminos 1-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)-9H-thioxanthen-9-one

1-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)-9H-thioxanthen-9-one

CAS No.:
3105-97-3
Catalog Number:
AG00BHUC
Molecular Formula:
C20H24N2O2S
Molecular Weight:
356.4818
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
98%
1 week
United States
$140
- +
Product Description
Catalog Number:
AG00BHUC
Chemical Name:
1-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)-9H-thioxanthen-9-one
CAS Number:
3105-97-3
Molecular Formula:
C20H24N2O2S
Molecular Weight:
356.4818
MDL Number:
MFCD00083383
IUPAC Name:
1-[2-(diethylamino)ethylamino]-4-(hydroxymethyl)thioxanthen-9-one
InChI:
InChI=1S/C20H24N2O2S/c1-3-22(4-2)12-11-21-16-10-9-14(13-23)20-18(16)19(24)15-7-5-6-8-17(15)25-20/h5-10,21,23H,3-4,11-13H2,1-2H3
InChI Key:
MFZWMTSUNYWVBU-UHFFFAOYSA-N
SMILES:
CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC
EC Number:
221-463-7
UNII:
2BXX5EVN2A
Properties
Complexity:
443  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.156g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
356.484g/mol
Monoisotopic Mass:
356.156g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Screening of a chemical library reveals novel PXR-activating pharmacologic compounds. Toxicology letters 20150105
Using functional signatures to identify repositioned drugs for breast, myelogenous leukemia and prostate cancer. PLoS computational biology 20120201
Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). PLoS computational biology 20111201
Evaluation of a 25-year-program for the control of schistosomiasis mansoni in an endemic area in Brazil. PLoS neglected tropical diseases 20110301
Lucanthone and its derivative hycanthone inhibit apurinic endonuclease-1 (APE1) by direct protein binding. PloS one 20110101
A predictive ligand-based Bayesian model for human drug-induced liver injury. Drug metabolism and disposition: the biological fate of chemicals 20101201
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
RNA interference in Schistosoma mansoni schistosomula: selectivity, sensitivity and operation for larger-scale screening. PLoS neglected tropical diseases 20101001
Discovery of potent small-molecule inhibitors of multidrug-resistant Plasmodium falciparum using a novel miniaturized high-throughput luciferase-based assay. Antimicrobial agents and chemotherapy 20100901
Identification of novel p53 pathway activating small-molecule compounds reveals unexpected similarities with known therapeutic agents. PloS one 20100101
Reduced susceptibility to praziquantel among naturally occurring Kenyan isolates of Schistosoma mansoni. PLoS neglected tropical diseases 20090801
Drug discovery for schistosomiasis: hit and lead compounds identified in a library of known drugs by medium-throughput phenotypic screening. PLoS neglected tropical diseases 20090701
Mefloquine--an aminoalcohol with promising antischistosomal properties in mice. PLoS neglected tropical diseases 20090101
The NIH-NIAID schistosomiasis resource center. PLoS neglected tropical diseases 20080701
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Long-term hepatocellular effects of hycanthone and of two other anti-Schistosomal drugs in mice infected with Schistosoma mansoni. The Journal of pharmacology and experimental therapeutics 19760601
Properties