기본 정보
- CAS
1268490-12-5- 표준 SMILES
CNc1cc(Oc2c(Cl)cc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2Cl)ncn1- InChIKey
QOQADIYOLOHRAW-UHFFFAOYSA-N- 분자식
- C19H14Cl2F3N5O2
- 평균 분자량
- 472.2 g/mol
- 단동위원소 질량
- 471.0476646
이름 및 식별자
- 우선 이름
- N-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-N'-[3-(trifluoromethyl)phenyl]urea
- IUPAC
- 1-[3,5-dichloro-4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
- 영어명
- Urea, N-[3,5-dichloro-4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]-N'-[3-(trifluoromethyl)phenyl]-
- 분자식
- C19H14Cl2F3N5O2
- 분자량
- 472.25
이름 및 동의어
GSK3291268490-12-5CHEMBL48693031-(3,5-dichloro-4-((6-(methylamino)pyrimidin-4-yl)oxy)phenyl)-3-(3-(trifluoromethyl)phenyl)ureaN-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-N'-[3-(trifluoromethyl)phenyl]ureaN-[3,5-Dichloro-4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]-N-[3-(trifluoromethyl)phenyl]-ureaN-[3,5-Dichloro-4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]-N'-[3-(trifluoromethyl)phenyl]ureaGSK-329orb1305525SCHEMBL9932861SCHEMBL31537739GTPL11806
이름 더 보기
T24109GSK 329GSK329, 10 mM in DMSO3-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-1-[3-(trifluoromethyl)phenyl]ureaUrea, N-[3,5-dichloro-4-[[6-(methylamino)-4-pyrimidinyl]oxy]phenyl]-N'-[3-(trifluoromethyl)phenyl]-diarylurea,cardiac-specific kinase,cardioprotective outcomes,inhibit,Inhibitor,GSK329,ischemia/reperfusion,TNNI3K
GSK329?QOQADIYOLOHRAW-UHFFFAOYSA-NGLXC-04768BDBM50578225AKOS040745827compound 47 [PMID: 34699203]1-[3,5-dichloro-4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]ureaDA-63936
데이터베이스 식별자
- CAS
1268490-12-5- PubChem CID
- 50997674
- ChEMBL
CHEMBL4869303
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 88.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 591
물리화학적 성질
- 끓는 점
- 471 · 471.0±45.0 °C(Predicted)
- 밀도
- 1.554 · 1.554±0.06 g/cm3(Predicted)
- 저장 조건
- 4 °C, · 4°C, protect from light
- 용해도
- 250 mg/mL · DMSO : 250 mg/mL (529.38 mM; Need ultrasonic)
- 산도 계수 (pKa)
- 12 · 12.00±0.70(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
화학 및 산업
공급사22 곳
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
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江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
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