퀴플라폰

Quiflapon

HCID 60923

기본 정보

CAS
136668-42-3
표준 SMILES
CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc12
InChIKey
NZOONKHCNQFYCI-UHFFFAOYSA-N
분자식
C34H35ClN2O3S
평균 분자량
587.2 g/mol
단동위원소 질량
586.20569166

개요

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.

이름 및 식별자

우선 이름
Quiflapon
IUPAC
3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid
현지명
퀴플라폰
영어명
Quiflapon
분자식
C34H35ClN2O3S
분자량
587.17

이름 및 동의어

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
이름 더 보기
퀴플라폰MK 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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
8.2
극성 표면적
89.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
10
무거운 원자 수
41

물리화학적 성질

끓는 점
751.3 · 751.3±60.0 °C(Predicted)
밀도
1.21 · 1.21±0.1 g/cm3(Predicted)
용해도
DMSO에 용해됨
물리적 상태
가루
산도 계수 (pKa)
4.7 · 4.70±0.10(Predicted)
색상
White to off-white

화학 및 산업

약리 정보

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

응용 분야

용도Anti-asthmatic; suppressant (inflammatory bowel disease).

공급사43 곳

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]

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