Fasudil

HCID 3547CAS 103745-39-7
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기본 정보

표준 SMILES
O=S(=O)(c1cccc2cnccc12)N1CCCNCC1
InChIKey
NGOGFTYYXHNFQH-UHFFFAOYSA-N
분자식
C14H17N3O2S
평균 분자량
291.37 g/mol
단동위원소 질량
291.10414778

개요

Fasudil is an isoquinoline substituted by a (1,4-diazepan-1-yl)sulfonyl group at position 5. It is a Rho-kinase inhibitor and its hydrochloride hydrate form is approved for the treatment of cerebral vasospasm and cerebral ischemia. It has a role as a geroprotector, a vasodilator agent, an antihypertensive agent, a calcium channel blocker, an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor, a neuroprotective agent and a nootropic agent. It is a member of isoquinolines and a N-sulfonyldiazepane. It is a conjugate base of a fasudil(1+).

이름 및 식별자

우선 이름
Fasudil
IUPAC
5-(1,4-diazepan-1-ylsulfonyl)isoquinoline
영어명
FASUDIL
분자식
C14H17N3O2S
분자량
291.37

이름 및 동의어

Fasudil103745-39-7ha-1077HA1077AT-877Fasudilum1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-HA 1077AT 8771-(5-Isoquinolinesulfonyl)homopiperazineQ0CH43PGXSHexahydro-1-(5-isoquinolinylsulfonyl)-1H-1,4-diazepine
이름 더 보기
Fasudil HCIHA-1077：ErilFASUDIL USP/EP/BPFasudil HydrchlorideFasudil hydrochloridFasudilum [inn-latin]H-1077 dihydrochloride
NSC-759827ZK-258594AT8775-[(Hexahydro-1H-1,4-diazepin-1-yl)sulfonyl]isoquinolineDTXSID4048569CHEBI:438715-((HEXAHYDRO-1H-1,4-DIAZEPIN-1-YL)SULFONYL)ISOQUINOLINERefChem:597170

데이터베이스 식별자

CAS
103745-39-7
PubChem CID
3547
DTXSID
DTXSID4048569
ChEMBL
CHEMBL38380
ChEBI
CHEBI:43871
UNII
Q0CH43PGXS
EC Number
816-154-4
Nikkaji
J227.600C

물성

구조 계산 물성

XLogP
1
극성 표면적
70.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
2
무거운 원자 수
20

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

끓는 점
506.2 · 506.2±60.0 °C(Predicted)
밀도
1.289 · 1.289±0.06 g/cm3(Predicted)
저장 조건
Store at RT
용해도
2 O: · H2O: >200 mg/mL
물리적 상태
고체
산도 계수 (pKa)
9.73 · 9.73±0.20(Predicted)

화학적 성질

White Crystalline Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk
3
rtecs
HM4031166
독성
mouse,LD50,unreported,73500ug/kg (73.5mg/kg),United States Patent Document. Vol. #4678783,
HS 번호
29334900
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

ATC Code · 2건

C - Cardiovascular system

QC - Cardiovascular system

MeSH Pharmacological Classification · 3건

A class of drugs that act by selective inhibition of calcium influx through cellular membranes.

Drugs used to cause dilation of the blood vessels.

Agents that inhibit PROTEIN KINASES.

응용 분야 · 2건

용도Fasudil is a protein kinase A inhibitor and may be used in medicinal combinations for hepatitis treatment.

일반 설명A cell-permeable, reversible, and ATP-competitive Ca2+ antagonist with anti-vasospastic properties. Inhibits protein kinase A (Ki = 1.6 μM), protein kinase G (Ki = 1.6 μM), and myosin light chain kinase (Ki = 3.6 μM). Also reported to potently inhibit Rho-associated kinase (ROCK; IC50 = 10.7 μM). Prevents apoptosis and enhances the survival and cloning efficiency of dissociated hES cells without affecting their pluripotency.

상·하류 제품 정보

상류 원료

공급사50 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]

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