기본 정보
- CAS
153587-01-0- 표준 SMILES
O=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1cc(C(F)(F)F)ccc1O- InChIKey
YLFMCMWKHSDUCT-UHFFFAOYSA-N- 분자식
- C15H8F6N2O2
- 평균 분자량
- 362.23 g/mol
- 단동위원소 질량
- 362.04899647
개요
NS 1619 is a member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which the hydrogens at positions 1 and 5 are replaced are replaced by 2-hydroxy-5-(trifluoromethyl)phenyl and trifluoromethyl groups, respectively. It is an opener/activator of the large-conductance calcium-activated potassium channel (Bkca). It has a role as a potassium channel opener. It is a member of benzimidazoles, a member of phenols and a member of (trifluoromethyl)benzenes.
이름 및 식별자
- 우선 이름
- 1,3-dihydro-1-(2-hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-2H-benzimidazol-2-one
- IUPAC
- 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
- 영어명
- NS 1619
- 분자식
- C15H8F6N2O2
- 분자량
- 362.23
이름 및 동의어
153587-01-0NS 16191,3-Dihydro-1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-benzimidazol-2-one3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-oneDTXSID80165363CHEBI:348792H-Benzimidazol-2-one, 1,3-dihydro-1-(2-hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-1,3-dihydro-1-(2-hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-2H-Benzimidazol-2-one3-(2-hydroxy-5-(trifluoromethyl)phenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-oneRefChem:166914DTXCID6087854NS-1619
이름 더 보기
NS 161NS-1619, 10 mM in DMSONS 1619, KCa1.1 channel activatorNS 1619 (1,3-DIHYDRO-1-(2-HYDROXY-5-(TRI FLUOROMETHYL)PHEN1-(2-hydroxy-5-(trifluoroMethyl)phenyl)-5-(trifluoroMethyl)-1H-b1-(2-Hydroxy-5-(Trifluoromethyl)Phenyl)-5-(Trifluoromethyl)-1H-Benzo[D]Imidazol-2-Ol
1-(2-hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-2(3H)-oneNS1619C15H8F6N2O2CHEMBL3849031-(2-hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-1,3-dihydro-2H-benzo[d]imidazol-2-oneMFCD009281901-(2'-Hydroxy-5'-trifluoromethylphenyl)-5-trifluoromethyl-2(3H)-benzimidazolone1-[2-hydroxy-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-1,3-dihydro-2h-benzimidazol-2-one
데이터베이스 식별자
- CAS
153587-01-0- PubChem CID
- 4552
- DTXSID
DTXSID80165363- ChEMBL
CHEMBL384903- ChEBI
CHEBI:34879- Nikkaji
- J567.070E
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 52.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 523
물리화학적 성질
- 밀도
- 1.563 · 1.563±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 용해도
- 45 % · 45%(w/v) 수성 2-히드록시프로필-β-시클로덱스트린: 0.47mg/mL
- 산도 계수 (pKa)
- 8.32 · 8.32±0.48(Predicted)
- 물리적 상태
- 고체
- 색상
- 하얀색
- 수용성
- 45 % · 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.47mg/mLethanol: 26.6mg/mL0.1 M NaOH: 5.2mg/mLDMSO: 5.3mg/mLH2O: insoluble
- InChI
- InChI=1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25)
- InChIKey
- YLFMCMWKHSDUCT-UHFFFAOYSA-N
- SMILES
- C1(=O)N(C2=CC(C(F)(F)F)=CC=C2O)C2=CC=C(C(F)(F)F)C=C2N1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도NS 1619 is a large conductance calcium-activated potassium channels (BKCa) activator and has been shown to induce precondition in the heart.
공급사75 곳
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추가 설명
정의ChEBI: A member of the class of benzimidazoles that is 1,3-dihydro-2H-benzimidazol-2-one in which the hydrogens at positions 1 and 5 are replaced are replaced by 2-hydroxy-5-(trifluoromethyl)phenyl and trifluoromethyl groups, respectively. It i an opener/activator of the large-conductance calcium-activated potassium channel (Bkca).
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