LY 393558
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기본 정보
- CAS
271780-64-4- 표준 SMILES
CC(C)N1Cc2cc(S(C)(=O)=O)ccc2N(CCN2CC=C(c3c[nH]c4cc(F)ccc34)CC2)S1(=O)=O- InChIKey
QUSLYAPLTMMCFE-UHFFFAOYSA-N- 분자식
- C26H31FN4O4S2
- 평균 분자량
- 546.69 g/mol
- 단동위원소 질량
- 546.17707569
이름 및 식별자
- 우선 이름
- LY 393558
- IUPAC
- 1-{2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]ethyl}-6-(methanesulfonyl)-3-(propan-2-yl)-3,4-dihydro-2lambda~6~,1,3-benzothiadiazine-2,2(1H)-dione
- 영어명
- 1-(2-[4-(6-FLUORO-1H-INDOL-3-YL)-3,6-DIHYDRO-2H-PYRIDIN-1-YL]-ETHYL)-3-ISOPROPYL-6-METHANESULFONYL-3,4-DIHYDRO-1H-BENZO[1,2,6]THIADIAZINE 2,2-DIOXIDE
- 분자식
- C26H31FN4O4S2
- 분자량
- 546.68
이름 및 동의어
LY-3935581-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-6-methylsulfonyl-3-propan-2-yl-4H-2λ6,1,3-benzothiadiazine 2,2-dioxide1-(2-[4-(6-FLUORO-1H-INDOL-3-YL)-3,6-DIHYDRO-2H-PYRIDIN-1-YL]-ETHYL)-3-ISOPROPYL-6-METHANESULFONYL-3,4-DIHYDRO-1H-BENZO[1,2,6]THIADIAZINE 2,2-DIOXIDE1-{2-[4-(6-Fluoro-1H-Indol-3-Yl)-3,6-Dihydro-1(2H)-Pyridinyl]Ethyl}-3-Isopropyl-6-(Methylsulfonyl)-3,4-Dihydro-1H-2,1,3-Benzothiadia zine 2,2-Dioxide1-[2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydro-1(2H)-pyridinyl]ethyl]-3,4-dihydro-3-(1-methylethyl)-6-(methylsulfonyl)-1H-2,1,3-benzothiadiazine-2,2-dioxide1H-2,1,3-BENZOTHIADIAZINE, 1-[2-[4-(6-FLUORO-1H-INDOL-3-YL)-3,6-DIHYDRO-1(2H)-PYRIDINYL]ETHYL]-3,4-DIHYDRO-3-(1-METHYLETHYL)-6-(METHYLSULFONYL)-, 2,2-DIOXIDE
데이터베이스 식별자
- CAS
271780-64-4- PubChem CID
- 10347428
- DTXSID
DTXSID60438426- ChEMBL
CHEMBL4303390
물성
물리화학적 성질
- 끓는 점
- 785.7 · 785.7±60.0 °C(Predicted)
- 밀도
- 1.359 · 1.359±0.06 g/cm3(Predicted)
- 저장 조건
- 4 °C · Store at +4°C
- 용해도
- 100 mM · Soluble to 100 mM in DMSO
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 16.46 · 16.46±0.30(Predicted)
- 색상
- Light yellow to yellow
화학 및 산업
응용 분야
용도LY 393558 acts as a 5HT1B/D receptor antagonist which has been shown to limit serotonin reuptake on extracellular levels. Potential use in the treatment of IBS.
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