Home Amines 3105-97-3
3105-97-3,MFCD00083383
Catalog No.:AA00BHRK

3105-97-3 | 1-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)-9H-thioxanthen-9-one

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25mg
95%
in stock  
$115.00   $81.00
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50mg
95%
in stock  
$183.00   $128.00
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100mg
95%
in stock  
$292.00   $205.00
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250mg
95%
in stock  
$494.00   $346.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BHRK
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
SMILES:
CCN(CCNc1ccc(c2c1c(=O)c1c(s2)cccc1)CO)CC
Properties
Computed Properties
 
Complexity:
443  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
7  
XLogP3:
2.7  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1988,vol.31,p.254-260

[1]JournalofMedicinalChemistry,1988,vol.31,p.254-260

[1]JournalofMedicinalChemistry,1988,vol.31,p.254-260

[1]JournalofMedicinalChemistry,1988,vol.31,p.254-260

[1]JournalofMedicinalChemistry,1988,vol.31,p.254-260

Literature

Title: Screening of a chemical library reveals novel PXR-activating pharmacologic compounds.

Journal: Toxicology letters 20150105

Title: Using functional signatures to identify repositioned drugs for breast, myelogenous leukemia and prostate cancer.

Journal: PLoS computational biology 20120201

Title: Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

Journal: PLoS computational biology 20111201

Title: Evaluation of a 25-year-program for the control of schistosomiasis mansoni in an endemic area in Brazil.

Journal: PLoS neglected tropical diseases 20110301

Title: Lucanthone and its derivative hycanthone inhibit apurinic endonuclease-1 (APE1) by direct protein binding.

Journal: PloS one 20110101

Title: A predictive ligand-based Bayesian model for human drug-induced liver injury.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20101201

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: RNA interference in Schistosoma mansoni schistosomula: selectivity, sensitivity and operation for larger-scale screening.

Journal: PLoS neglected tropical diseases 20101001

Title: Discovery of potent small-molecule inhibitors of multidrug-resistant Plasmodium falciparum using a novel miniaturized high-throughput luciferase-based assay.

Journal: Antimicrobial agents and chemotherapy 20100901

Title: Identification of novel p53 pathway activating small-molecule compounds reveals unexpected similarities with known therapeutic agents.

Journal: PloS one 20100101

Title: Reduced susceptibility to praziquantel among naturally occurring Kenyan isolates of Schistosoma mansoni.

Journal: PLoS neglected tropical diseases 20090801

Title: Drug discovery for schistosomiasis: hit and lead compounds identified in a library of known drugs by medium-throughput phenotypic screening.

Journal: PLoS neglected tropical diseases 20090701

Title: Mefloquine--an aminoalcohol with promising antischistosomal properties in mice.

Journal: PLoS neglected tropical diseases 20090101

Title: The NIH-NIAID schistosomiasis resource center.

Journal: PLoS neglected tropical diseases 20080701

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology 20050601

Title: Long-term hepatocellular effects of hycanthone and of two other anti-Schistosomal drugs in mice infected with Schistosoma mansoni.

Journal: The Journal of pharmacology and experimental therapeutics 19760601

Title: Mamta D Naidu, et al. Lucanthone and its derivative hycanthone inhibit apurinic endonuclease-1 (APE1) by direct protein binding. PLoS One. 2011;6(9):e23679.

Title: Pica Mattoccia L, et al. Effect of hycanthone administered in vivo upon the incorporation of radioactive precursors into macromolecules of Schistosoma mansoni. Mol Biochem Parasitol. 1983 Jun;8(2):99-107.

Title: Hahon N, et al. Action of antischistosomal drugs, hycanthone and its analog 1A-4 N-oxide, on viral interferon induction. J Toxicol Environ Health. 1980 Jul;6(4):705-12.

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SDS
Tags:3105-97-3 Molecular Formula|3105-97-3 MDL|3105-97-3 SMILES|3105-97-3 1-((2-(Diethylamino)ethyl)amino)-4-(hydroxymethyl)-9H-thioxanthen-9-one