기본 정보
- CAS
1513852-12-4- 표준 SMILES
CC(C)(C)C(=O)NCc1ccc(Cl)c(-c2nn(-c3ccc(C(F)(F)F)cc3)c(=O)[nH]2)c1- InChIKey
DOVBVLUPCQSAGE-UHFFFAOYSA-N- 분자식
- C21H20ClF3N4O2
- 평균 분자량
- 452.9 g/mol
개요
Zaloglanstat is a small molecule drug. The usage of the INN stem '-glanstat' in the name indicates that Zaloglanstat is a prostaglandin synthase inhibitor. Zaloglanstat has a monoisotopic molecular weight of 452.12 Da.
이름 및 식별자
- 우선 이름
- Zaloglanstat
- IUPAC
- N-[[4-chloro-3-[5-oxo-1-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]phenyl]methyl]-2,2-dimethylpropanamide
- 영어명
- Propanamide, N-[[4-chloro-3-[2,5-dihydro-5-oxo-1-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]methyl]-2,2-dimethyl-
- 분자식
- C21H20ClF3N4O2
- 분자량
- 452.86
이름 및 동의어
Zaloglanstat1513852-12-4Zaloglanstat [INN]ISC 27864V5SE449P9LISC-27864Propanamide, N-((4-chloro-3-(2,5-dihydro-5-oxo-1-(4-(trifluoromethyl)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)methyl)-2,2-dimethyl-N-[(4-chloro-3-{5-oxo-1-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1H-1,2,4-triazol-3-yl}phenyl)methyl]-2,2-dimethylpropanamideN-((4-chloro-3-(5-oxo-1-(4-(trifluoromethyl)phenyl)-2,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl)methyl)-2,2-dimethylpropanamideRefChem:195828UNII-V5SE449P9LN-[[4-chloro-3-[5-oxo-1-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]phenyl]methyl]-2,2-dimethylpropanamide
이름 더 보기
GRC-27864Zaloglanstat( GRC-27864)Propanamide, N-[[4-chloro-3-[2,5-dihydro-5-oxo-1-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]methyl]-2,2-dimethyl-
N-[[4-Chloro-3-[2,5-dihydro-5-oxo-1-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]phenyl]methyl]-2,2-dimethylpropanamideorb3137073SCHEMBL15541924GTPL11406AKOS040756871DA-68801MS-28241HY-139589
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 73.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 714
물리화학적 성질
- 밀도
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 250 mg/mL · DMSO : 250 mg/mL (552.05 mM; Need ultrasonic)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 7.81 · 7.81±0.20(Predicted)
- 색상
- White to off-white
화학 및 산업
공급사6 곳
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海陌孚医药科技有限公司4000862158 18117107507 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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