3-[3-Tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid

Base Information

Chemical Name:3-[3-Tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid
CAS No.:118414-82-7
Molecular Formula:C27H34 Cl N O2 S
Molecular Weight:472.091
Hs Code.:
NSC Number:736463
UNII:080626SQ8C
DSSTox Substance ID:DTXSID5041067
Nikkaji Number:J328.555C
Wikipedia:MK-886
Wikidata:Q27086912
Pharos Ligand ID:6J3JP965Z3N1
ChEMBL ID:CHEMBL29097
Mol file:118414-82-7.mol

Synonyms:1-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha, alpha-dimethyl-5-(1-methylethyl)-1h-indole-2-propanoic acid;1H-indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha, alpha-dimethyl-5-(1-methylethyl)-;1H-indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha,alpha-dimethyl-5-(1-methylethyl)-, sodium salt (1:1);1H-indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha,alpha-dimethyl-5-(1-methylethyl)-, sodium salt, hydrate (1:1:1);3-(1-(4-chlorobenzyl)-3-t-butylthio-5-isopropylindol-2-yl)-2,2-dimethylpropanoic acid;L 663536;L-663,536;L-663536;MK 886;MK-886;MK-886 sodium monohydrate;MK-886 sodium salt;MK-886 sodium salt hydrate;MK-886 sodium salt monohydrate;MK886;MK886 sodium

Suppliers and Price of 3-[3-Tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
MK-886
10mg
$ 135.00

Medical Isotopes, Inc.
MK-886
50 mg
$ 1880.00

CSNpharm
MK-886
5mg
$ 76.00

CSNpharm
MK-886
25mg
$ 251.00

CSNpharm
MK-886
100mg
$ 610.00

Crysdot
MK-886 95+%
100mg
$ 574.00

Crysdot
MK-886 95+%
50mg
$ 421.00

Crysdot
MK-886 95+%
25mg
$ 236.00

ChemScene
MK-886 99.77%
10mg
$ 144.00

ChemScene
MK-886 99.77%
5mg
$ 84.00

Total 27 raw suppliers

Chemical Property of 3-[3-Tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid

Chemical Property:

Vapor Pressure:2.11E-16mmHg at 25°C
Melting Point:295-297°C
Boiling Point:623.4°Cat760mmHg
Flash Point:330.8°C
PSA：70.36000
Density:1.14g/cm³
LogP:6.67560
Storage Temp.:2-8°C
Solubility.:DMSO: 32 mg/mL
XLogP3:7.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:471.1998782
Heavy Atom Count:32
Complexity:638

Purity/Quality:

99%, ^*data from raw suppliers

MK-886 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)O)CC3=CC=C(C=C3)Cl
Description MK-886 (118414-82-7) is an inhibitor of leukotriene biosynthesis(IC50 = 2.5 nM in human PMN)1 via 5-lipoxygenase-activating protein (FLAP) inhibition (IC50 = 30 nM)2. MK-886 also inhibits PPARα (80% inhibition at 10 μM).3
Uses Binds to 5-lipoxygenase-activating protein with high affinity and prevents the activation of 5-lipoxygenase, thus inhibiting the biosynthesis of leukotrienes. MK-886 is a potent and selective inhibitor of FLAP and Cox-1.

Technology Process of 3-[3-Tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid

There total 1 articles about 3-[3-Tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: