Home Halogens 1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-α,α-dimethyl-5-(2-quinolinylmethoxy)-

1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-α,α-dimethyl-5-(2-quinolinylmethoxy)-

CAS No.:
136668-42-3
Catalog Number:
AG001278
Molecular Formula:
C34H35ClN2O3S
Molecular Weight:
587.1713
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$273
- +
10mg
99%
1 week
United States
$348
- +
50mg
99%
1 week
United States
$1350
- +
100mg
99%
1 week
United States
$2057
- +
Product Description
Catalog Number:
AG001278
Chemical Name:
1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-α,α-dimethyl-5-(2-quinolinylmethoxy)-
CAS Number:
136668-42-3
Molecular Formula:
C34H35ClN2O3S
Molecular Weight:
587.1713
MDL Number:
MFCD00900782
IUPAC Name:
3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
InChI:
InChI=1S/C34H35ClN2O3S/c1-33(2,3)41-31-27-18-26(40-21-25-15-12-23-8-6-7-9-28(23)36-25)16-17-29(27)37(20-22-10-13-24(35)14-11-22)30(31)19-34(4,5)32(38)39/h6-18H,19-21H2,1-5H3,(H,38,39)
InChI Key:
NZOONKHCNQFYCI-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Cn1c(CC(C(=O)O)(C)C)c(c2c1ccc(c2)OCc1ccc2c(n1)cccc2)SC(C)(C)C
UNII:
9295C885I4
Properties
Complexity:
873  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
586.206g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
587.175g/mol
Monoisotopic Mass:
586.206g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2  
Literature
Title Journal
Lead modification: amino acid appended indoles as highly effective 5-LOX inhibitors. Bioorganic & medicinal chemistry 20140301
MK591, a leukotriene biosynthesis inhibitor, induces apoptosis in prostate cancer cells: synergistic action with LY294002, an inhibitor of phosphatidylinositol 3'-kinase. Cancer letters 20100528
5-Lipoxygenase-activating protein inhibitors. Part 2: 3-{5-((S)-1-Acetyl-2,3-dihydro-1H-indol-2-ylmethoxy)-3-tert-butylsulfanyl-1-[4-(5-methoxy-pyrimidin-2-yl)-benzyl]-1H-indol-2-yl}-2,2-dimethyl-propionic acid (AM679)--a potent FLAP inhibitor. Bioorganic & medicinal chemistry letters 20100101
5-lipoxygenase-activating protein inhibitors: development of 3-[3-tert-butylsulfanyl-1-[4-(6-methoxy-pyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid (AM103). Journal of medicinal chemistry 20091008
Effect of 5-lipoxygenase inhibitor MK591 on early molecular and signaling events induced by staphylococcal enterotoxin B in human peripheral blood mononuclear cells. The FEBS journal 20080601
Substituted 2,2-bisaryl-bicycloheptanes as novel and potent inhibitors of 5-lipoxygenase activating protein. Bioorganic & medicinal chemistry letters 20080315
Angiotensin II-induced abdominal aortic aneurysm occurs independently of the 5-lipoxygenase pathway in apolipoprotein E-deficient mice. Prostaglandins & other lipid mediators 20070801
Crystal structure of inhibitor-bound human 5-lipoxygenase-activating protein. Science (New York, N.Y.) 20070727
Montelukast regulates eosinophil protease activity through a leukotriene-independent mechanism. The Journal of allergy and clinical immunology 20060701
Arachidonic acid activates phospholipase D in human neutrophils; essential role of endogenous leukotriene B4 and inhibition by adenosine A2A receptor engagement. Journal of leukocyte biology 20030401
Role of 5-lipoxygenase products in the local accumulation of neutrophils in dermal inflammation in the rabbit. Journal of immunology (Baltimore, Md. : 1950) 19990915
Assessment of the in vivo biochemical efficacy of orally active leukotriene biosynthesis inhibitors. Agents and actions 19930901
Properties