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
- Formal charge
- 0
- Complexity
- 873
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
- FDA UNII
- 9295 C885I4 · 9295C885I4
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]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
上海偕腾生物科技有限公司+86-021-58975553 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海楼岚生物科技有限公司021-52996696,15000506266 15000506266
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
斯派螺(武汉)药物研发有限公司[email protected]
开封明仁药业有限公司0371-65741762 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
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上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
爱必信(上海)生物科技有限公司13761418683 · [email protected]
南通全益生物科技有限公司+86-0513; 18051384581 · [email protected]
Musechem+1-800-259-7612 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
Aladdin Scientific[email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海佰世凯生物科技有限公司021-20908456 · [email protected]
HANGZHOU CLAP TECHNOLOGY CO.,LTD86-571-88216897,88216896 13588875226 · [email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
常州辰鸿生物科技有限公司+86-0519-85788828 +86-13775037613 · [email protected]
上海弘渠生物医药科技有限公司88888888888 · [email protected]
InvivoChem+1-708-310-1919 +1-13798911105 · [email protected]
Related reactions
13 records
Compound notes
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