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549505-65-9,MFCD09037547
Catalog No.:AA00DFE4

549505-65-9 | (RS)-4-[5-(4-FLUOROPHENYL)-2-METHYLSULFANYL-3H-IMIDAZOL-4-YL]PYRIDIN-2-YL]-(1-PHENYLETHYL)AMINE]

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  • Properties
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00DFE4
Chemical Name:
(RS)-4-[5-(4-FLUOROPHENYL)-2-METHYLSULFANYL-3H-IMIDAZOL-4-YL]PYRIDIN-2-YL]-(1-PHENYLETHYL)AMINE]
CAS Number:
549505-65-9
Molecular Formula:
C23H21FN4S
Molecular Weight:
404.5030
MDL Number:
MFCD09037547
SMILES:
CSc1nc(c([nH]1)c1ccc(cc1)F)c1ccnc(c1)NC(c1ccccc1)C
Properties
Computed Properties
 
Complexity:
495  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
1  
XLogP3:
5.5  

Literature

Title: A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery.

Journal: The Biochemical journal 20130415

Title: Mechanistic role of p38 MAPK in gastric cancer dissemination in a rodent model peritoneal metastasis.

Journal: European journal of pharmacology 20120115

Title: MAPK phosphatase-1 contributes to trichostatin A inhibition of cyclooxygenase-2 expression in human umbilical vascular endothelial cells exposed to lipopolysaccharide.

Journal: Biochimica et biophysica acta 20111201

Title: Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity.

Journal: Nature biotechnology 20111101

Title: Chiral sulfoxides as metabolites of 2-thioimidazole-based p38α mitogen-activated protein kinase inhibitors: enantioselective synthesis and biological evaluation.

Journal: Journal of medicinal chemistry 20110512

Title: Novel p38 MAPK inhibitor ML3403 has potent anti-inflammatory activity in airway smooth muscle.

Journal: European journal of pharmacology 20100610

Title: Trisubstituted purines are useful tools for developing potent plant mitogen-activated protein kinase inhibitors.

Journal: Bioscience, biotechnology, and biochemistry 20100101

Title: Colocalization of the VEGF-R2 and the common IL-3/GM-CSF receptor beta chain to lipid rafts leads to enhanced p38 activation.

Journal: British journal of haematology 20090501

Title: Design, synthesis, and biological evaluation of novel Tri- and tetrasubstituted imidazoles as highly potent and specific ATP-mimetic inhibitors of p38 MAP kinase: focus on optimized interactions with the enzyme's surface-exposed front region.

Journal: Journal of medicinal chemistry 20080724

Title: [Redox-dependent regulation of apoptosis as a function of intracellular reactive oxygen species in oxidative stress].

Journal: Rossiiskii fiziologicheskii zhurnal imeni I.M. Sechenova 20080601

Title: Role of recombinant mitogen-activated protein kinases JNK and p38 in the regulation of apoptosis in blood mononuclear cells under conditions of oxidative stress in vitro.

Journal: Bulletin of experimental biology and medicine 20080501

Title: A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases.

Journal: Proceedings of the National Academy of Sciences of the United States of America 20071218

Title: Pharmacokinetics of ML3403 ({4-[5-(4-fluorophenyl)-2-methylsulfanyl-3H-imidazol-4-yl]-pyridin-2-yl}-(1-phenylethyl)-amine), a 4-Pyridinylimidazole-type p38 mitogen-activated protein kinase inhibitor.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20070601

Title: In vitro metabolite identification of ML3403, a 4-pyridinylimidazole-type p38 MAP kinase inhibitor by LC-Qq-TOF-MS and LC-SPE-cryo-NMR/MS.

Journal: Xenobiotica; the fate of foreign compounds in biological systems 20070301

Title: The cancer chemotherapy drug etoposide (VP-16) induces proinflammatory cytokine production and sickness behavior-like symptoms in a mouse model of cancer chemotherapy-related symptoms.

Journal: Biological research for nursing 20061001

Title: Novel substituted pyridinyl imidazoles as potent anticytokine agents with low activity against hepatic cytochrome P450 enzymes.

Journal: Journal of medicinal chemistry 20030717

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