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기본 정보
- CAS
202821-81-6- 표준 SMILES
O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(Cl)ccc1O- InChIKey
QKOWACXSXTXRKA-UHFFFAOYSA-N- 분자식
- C16H10ClF3N2O3
- 평균 분자량
- 370.71 g/mol
- 단동위원소 질량
- 370.03320452
개요
3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one is a member of (trifluoromethyl)benzenes.
이름 및 식별자
- 우선 이름
- Bms-191011
- IUPAC
- 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one
- 영어명
- 3-[(5-CHLORO-2-HYDROXYPHENYL)METHYL]-5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2(3H)-ONE
- 분자식
- C16H10ClF3N2O3
- 분자량
- 370.71
이름 및 동의어
202821-81-6BMS-191011BMS 191011Bms-aLW7MXS978N1,3,4-Oxadiazol-2(3H)-one, 3-((5-chloro-2-hydroxyphenyl)methyl)-5-(4-(trifluoromethyl)phenyl)-1,3,4-Oxadiazol-2(3H)-one, 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-DTXSID70174141BMS191011RefChem:120701DTXCID10966323-(5-Chloro-2-hydroxybenzyl)-5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2(3H)-one
이름 더 보기
-1,3,4-oxadiazol-2(3H)BMS-191011 >=98% (HPLC)BMS-191011, 10 mM in DMSO3-(5-Chloro-2-hydroxybenzyl)3-(5-chloro-2-hydroxybenzyl)-5-(4-(trifluoroMethyl)phenyl)-1,3,43-(5-chloro-2-hydroxybenzyl)-5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2(3H)
3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2(3H)-oneMFCD097532853-(5-Chloro-2-hydroxybenzyl)-5-(4-(trifluoromethyl)-phenyl)-1,3,4-oxadiazol-2(3H)-one3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one3-(5-Chloro-2-Hydroxybenzyl)-5-[4-(Trifluoromethyl)Phenyl]-1,3,4-Oxadiazol-2(3H)-OneUNII-LW7MXS978NC16H10ClF3N2O3-5-(4-(trifluoromethyl)
물성
구조 계산 물성보충 중
- XLogP
- 4.3
- 극성 표면적
- 62.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 535
물리화학적 성질
- 끓는 점
- 444 · 444.0±55.0 °C(Predicted)
- 밀도
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- 저장 조건
- Store at RT
- 용해도
- 20 mg/mL, · DMSO: 용해성20mg/mL, 투명(가온)
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 9.27 · 9.27±0.43(Predicted)
- 색상
- 흰색에서 베이지색
- InChI
- 1S/C16H10ClF3N2O3/c17-12-5-6-13(23)10(7-12)8-22-15(24)25-14(21-22)9-1-3-11(4-2-9)16(18,19)20/h1-7,23H,8H2
- InChIKey
- QKOWACXSXTXRKA-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1ccc(cc1)C2=NN(C(=O)O2)Cc3c(ccc(c3)Cl)O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P273, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25
- hazard_code
- T
- safety_code
- 45
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 4
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
응용 분야
개요BMS 191011 is an activator of large-conductance calcium-activated potassium (KCa1.1/BK) channels that increases maximum potassium current to 126% of control in X. laevis oocytes expressing human KCa1.1 channels when used at a concentration of 1 μM. In vivo, BMS 191011 (10-100 μg/kg, i.v.) increases the diameter of retinal arterioles without affecting blood pressure or heart rate in rats, an effect that is reversed by the KCa1.1 channel blocker iberiotoxin .
공급사75 곳
沈阳中申泽康生物医学技术研究有限公司024-88590548 18698872706 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
江苏弘和药物研发有限公司5108538618 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [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]
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