MK886 sodium

HCID 4519262CAS 118427-55-7
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Basic information

Standard SMILES
CC(C)c1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1.[Na+]
InChIKey
CBNCIYNCWVGEKJ-UHFFFAOYSA-M
Molecular formula
C27H33ClNNaO2S
Average molar mass
494.1 g/mol
Monoisotopic mass
493.18182226

Names & identifiers

Preferred name
MK886 sodium
IUPAC
sodium 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoate
English name
MK-886 sodium salt
Molecular formula
C27H33ClNNaO2S
Molecular weight
494.06

Names & synonyms

118427-55-7MK-886 sodium saltMK886 sodiumPNR27O326B1H-Indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha,alpha-dimethyl-5-(1-methylethyl)-, sodium salt1H-Indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha,alpha-dimethyl-5-(1-methylethyl)-, sodium salt (1:1)RefChem:925977MK-886 (sodium salt)sodium;3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoateL 663536CHEMBL416657Mk 886 Sodium Salt
Show more names
536MK-886L-663L 663536 SodiuM SaltMK-886 sodium salt hydrateMK-886 hydrate sodium saltL-663536MK-886MK 886MK886
MK 886 sodiumMK-886NaSaltMK-886 Na SaltMK-886 sodium hydrateC27H33ClNNaO2SLopac-M-2692MK-886 (sodium salt)?UNII-PNR27O326B

Database identifiers

CAS
118427-55-7
PubChem CID
4519262
DTXSID
DTXSID4040551
ChEMBL
CHEMBL416657
UNII
PNR27O326B

Properties

Computed structural properties

Topological polar surface area
70.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
33

Physicochemical properties

Melting point
275 · 275-278°C
storage temp.
2 · 2-8°C
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Solid
color
White to Off-White
Stability
Hygroscopic

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationCompounds that bind to and inhibit that enzymatic activity of LIPOXYGENASES. Included under this category are inhibitors that are specific for lipoxygenase subtypes and act to reduce the production of LEUKOTRIENES.

Applications

UsesMK-886 is a leukotriene inhibitor. MK-886 and Celecoxib have an inhibitory effect on the growth of pancreatic cancer cell line SW1990 and angiogenesis.

Suppliers13 total

广东泛普生物科技有限公司19513720913
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]

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