Quiflapon

HCID 60923

Basic information

CAS
136668-42-3
Standard SMILES
CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
InChIKey
NZOONKHCNQFYCI-UHFFFAOYSA-N
Molecular formula
C34H35ClN2O3S
Average molar mass
587.2 g/mol
Monoisotopic mass
586.20569166

Overview

Quiflapon is a small molecule drug. The usage of the INN stem '-flapon' in the name indicates that Quiflapon is a 5-lipoxygenase-activating protein (FLAP) inhibitor. Quiflapon has a monoisotopic molecular weight of 586.21 Da.

Names & identifiers

Preferred name
Quiflapon
IUPAC
3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
English name
Quiflapon
Molecular formula
C34H35ClN2O3S
Molecular weight
587.17

Names & synonyms

Quiflapon136668-42-3MK-0591MK 591MK 0591L-686,7089295C885I4DTXSID201598821H-Indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha,alpha-dimethyl-5-(2-quinolinylmethoxy)-1H-Indole-2-propanoic acid, 1-[(4-chlorophenyl)methyl]-3-[(1,1-dimethylethyl)thio]-alpha,alpha-dimethyl-5-(2-quinolinylmethoxy)-quiflaponumMK591 compound
Show more names
MK 591(Quiflapon)MK-0591 (Quiflapon)Quiflapon, 10 mM in DMSOMK-591MK0591MK591,FLAP,inhibit,5-LO activating protein,Quiflapon,MK 591,Inhibitor,Apoptosis3-(3-(tert-Butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylp
RefChem:178139DTXCID40823733-(TERT-BUTYLTHIO)-1-(P-CHLOROBENZYL)-ALPHA,ALPHA-DIMETHYL-5-(2-QUINOLYLMETHOXY)INDOLE-2-PROPIONATEQuiflapon [INN]Quiflapon free acid3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoic acidL-686708

Database identifiers

CAS
136668-42-3
PubChem CID
60923
DTXSID
DTXSID20159882
ChEMBL
CHEMBL16596
UNII
9295C885I4
Nikkaji
J504.045K

Properties

Computed structural properties

XLogP
8.2
Topological polar surface area
89.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
41

Physicochemical properties

Boiling point
751.3 · 751.3±60.0 °C(Predicted)
Density
1.21 · 1.21±0.1 g/cm3(Predicted)
solubility
Soluble in DMSO
form
Powder
pka
4.7 · 4.70±0.10(Predicted)
color
White to off-white

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationCompounds that bind to and inhibit the action of 5-LIPOXYGENASE-ACTIVATING PROTEINS.

Applications

UsesAnti-asthmatic; suppressant (inflammatory bowel disease).

Suppliers43 total

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
四川星优天下医药科技有限公司18328380615 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]

Related reactions

13 records

Compound notes

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