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

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

CAS No.:
147030-01-1
Catalog Number:
AG001EJ9
Molecular Formula:
C34H34ClN2NaO3S
Molecular Weight:
609.1531
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$240
- +
10mg
98%
1 week
United States
$348
- +
50mg
98%
1 week
United States
$1307
- +
100mg
98%
1 week
United States
$1890
- +
Product Description
Catalog Number:
AG001EJ9
Chemical Name:
1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-α,α-dimethyl-5-(2-quinolinylmethoxy)-, sodium salt (1:1)
CAS Number:
147030-01-1
Molecular Formula:
C34H34ClN2NaO3S
Molecular Weight:
609.1531
MDL Number:
MFCD15143438
IUPAC Name:
sodium;3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoate
InChI:
InChI=1S/C34H35ClN2O3S.Na/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);/q;+1/p-1
InChI Key:
YPURUCMVRRNPHJ-UHFFFAOYSA-M
SMILES:
Clc1ccc(cc1)Cn1c(CC(C(=O)[O-])(C)C)c(c2c1ccc(c2)OCc1ccc2c(n1)cccc2)SC(C)(C)C.[Na+]
UNII:
321US0I5R6
Properties
Complexity:
879  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
608.188g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
609.157g/mol
Monoisotopic Mass:
608.188g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
92.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
5-Lipoxygenase-activating protein (FLAP) inhibitors. Part 4: development of 3-[3-tert-butylsulfanyl-1-[4-(6-ethoxypyridin-3-yl)benzyl]-5-(5-methylpyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethylpropionic acid (AM803), a potent, oral, once daily FLAP inhibitor. Journal of medicinal chemistry 20111208
MK591, a leukotriene biosynthesis inhibitor, induces apoptosis in prostate cancer cells: synergistic action with LY294002, an inhibitor of phosphatidylinositol 3'-kinase. Cancer letters 20100528
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