기본 정보
- CAS
223644-02-8- 표준 SMILES
C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12.Cl- InChIKey
COBSKSLDBJBGEK-MERQFXBCSA-N- 분자식
- C15H19ClFN3O2S
- 평균 분자량
- 359.8 g/mol
- 단동위원소 질량
- 359.0870539
개요
structure in first source
이름 및 식별자
- 우선 이름
- (S)-(-)-4-((4-fluoroisoquinolin-5-yl)sulfonyl)-3-methyl-1,4-diazepan-1-ium chloride
- IUPAC
- 4-fluoro-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline;hydrochloride
- 현지명
- Ripasudil염산염
- 영어명
- Ripasudil Hydrochloride
- 분자식
- C15H19ClFN3O2S
- 분자량
- 359.8466632
이름 및 동의어
RefChem:202868(S)-(-)-4-((4-fluoroisoquinolin-5-yl)sulfonyl)-3-methyl-1,4-diazepan-1-ium chloride4-((4-fluoroisoquinolin-5-yl)sulfonyl)-3-methyl-1,4-diazepan-1-ium chlorideRipasudil hydrochloride anhydrous223644-02-83CZ0FF0XJO(S)-4-Fluoro-5-((2-methyl-1,4-diazepan-1-yl)sulfonyl)isoquinoline hydrochloride1H-1,4-Diazepine, 1-((4-fluoro-5-isoquinolinyl)sulfonyl)hexahydro-2-methyl-, monohydrochloride, (2S)-Isoquinoline, 4-fluoro-5-(((2S)-hexahydro-2-methyl-1H-1,4-diazepin-1-yl)sulfonyl)-, hydrochloride (1:1)UNII-3CZ0FF0XJO1H-1,4-Diazepine, 1-[(4-fluoro-5-isoquinolinyl)sulfonyl]hexahydro-2-methyl-, monohydrochloride, (2S)-Isoquinoline, 4-fluoro-5-[[(2S)-hexahydro-2-methyl-1H-1,4-diazepin-1-yl]sulfonyl]-, hydrochloride (1:1)
이름 더 보기
Ripasudil염산염GlanatecRipasudil Hydrochloride(2S)-1-[(4-Fluoro-5-isoquinolinyl)sulfonyl]hexahydro-2-methyl-1H-1,4-diazepine monohydrochloride
K-115 HydrochlorideRipasudil monohydrochlorideSCHEMBL3081946CHEMBL6147188SCHEMBL29404703GLXC-07646RIPASUDIL HYDROCHLORIDE [MI]4-fluoro-5-[[(2S)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline;hydrochloride
물성
구조 계산 물성
- 극성 표면적
- 70.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 482
물리화학적 성질
- 녹는점
- 258 · 258-259 °C (decomp)
- 저장 조건
- Hygroscopic, Refrigerator, under inert atmosphere
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨), 물(소량으로 용해)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- 안정성
- 흡습성
화학 및 산업
응용 분야
용도Ripasudil (Glanatec TM, Kowa Pharmaceutical), a close derivative of fasudil, is another Rho kinase inhibitor approved in Japan at the end of 2014 for the treatment of glaucoma and ocular hypertensionwhen other therapeutic agents are not effective or cannot be administered. Additionally, ripasudil has been tested in diabetic retinopathy clinical trials and shown to promote corneal endothelial cell proliferation, endothelium regeneration, and wound healing.
상·하류 제품 정보
상류 원료
공급사6 곳
苏州海恒生物医药有限公司0512-15365387483;0512-65045967 15365387483 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
药渡经纬信息科技(北京)有限公司+86-400-851-9921 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
成都酶凯医药科技有限公司18428181580 18428181580 · [email protected]
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