홈MCP워크벤치Skills
홈워크벤치알림마이페이지
Huagongshe 오픈 프로젝트:[email protected]AI 접속: llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.7.8
  1. 홈
  2. /화합물

beta-Alanine, N,N-dimethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho(2,1-b)pyran-6-yl ester, hydrochloride (1:1)

HCID 444028
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
138605-00-2
표준 SMILES
C=C[C@@]1(C)CC(=O)[C@]2(O)[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3[C@H](OC(=O)CCN(C)C)[C@H](OC(C)=O)[C@@]2(C)O1.Cl
InChIKey
VIRRLEDAYYYTOD-YHEOSNBFSA-N
분자식
C27H44ClNO8
평균 분자량
546.1 g/mol
단동위원소 질량
545.2755451

개요

Colforsin daropate hydrochloride is the hydrochloride salt of colforsin daropate. It is a drug used for the treatment of acute heart failure. It directly stimulates adenylate cyclase and produces positive inotropic and vasodilator effects accompanied by the increase in cellular cAMP. It has a role as a vasodilator agent, an antihypertensive agent, a cardiotonic drug and an adenylate cyclase agonist. It contains a colforsin daropate(1+).

이름 및 식별자

우선 이름
beta-Alanine, N,N-dimethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho(2,1-b)pyran-6-yl ester, hydrochloride (1:1)
IUPAC
[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-(dimethylamino)propanoate;hydrochloride
영어명
N,N-Dimethyl-(3R,4aR,5S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl ester β-alanine hydrochloride
분자식
C27H44ClNO8
분자량
546.1

이름 및 동의어

138605-00-2AdehlColforsin daropate hydrochlorideColforsin dapropate hydrochlorideColforsin dapropate HCl6-(3-Dimethylaminopropionyl)forskolin hydrochlorideC6P4R272GTCHEBI:31429RefChem:578509BETA-ALANINE, N,N-DIMETHYL-, (3R,4AR,5S,6S,6AS,10S,10AR,10BS)-5-(ACETYLOXY)-3-ETHENYLDODECAHYDRO-10,10B-DIHYDROXY-3,4A,7,7,10A-PENTAMETHYL-1-OXO-1H-NAPHTHO(2,1-B)PYRAN-6-YL ESTER, HYDROCHLORIDE (1:1)NKH-477colforsin daropate HCl
이름 더 보기
MKH 477NKH 477Forskolin, NKH477Colforsin dapropateVIRRLEDAYYYTOD-YHEOSNBFSA-Ncolforsindapropatehydrochloride
NKH477 (hydrochloride)beta-Alanine, N,N-dimethyl-, (3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho(2,1-b)pyran-6-yl ester, hydrochlorideColforsin daropate hydrochloride (JAN)[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl] 3-(dimethylamino)propanoate;hydrochlorideAdehl (TN)Colforsin daropate hciCOLFORSIN DAROPATE HYDROCHLORIDE [JAN]UNII-C6P4R272GT

데이터베이스 식별자

CAS
138605-00-2
PubChem CID
444028
DTXSID
DTXSID90930165
ChEBI
CHEBI:31429
UNII
C6P4R272GT
EC Number
689-002-6

물성

구조 계산 물성

극성 표면적
123 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
9
회전 가능 결합 수
8
무거운 원자 수
37
형식 전하
0
복잡도
933

물리화학적 성질

저장 조건
2 · 2-8°C
용해도
2 O: · H2O: 용해성3mg/mL, 투명하거나 약간 흐릿함(따뜻함)
물리적 상태
흰색 고체
색상
흰색에서 베이지색
수용성
40 mM · Soluble to 40 mM in water
InChIKey
VIRRLEDAYYYTOD-YHEOSNBFSA-N
SMILES
Cl.CN(C)CCC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@]2(C)O[C@](C)(CC(=O)[C@]2(O)[C@@]3(C)[C@@H](O)CCC(C)(C)[C@H]13)C=C

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 1 (100%)

안전 데이터

wgk
3
rtecs
AY5992600
ridadr
UN 2811 6.1 / PGII
risk_code
28
hazard_code
T+
safety_code
28-36/37-45
Hazard Classifications
Acute Tox. 2 Oral
스토리지 클래스
6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials

화학 및 산업

응용 분야 · 2건

개요Colforsin daropate was launched in Japan as a treatment for acute heart failure. It is a water-soluble and orally active 3-dimethylaminopropionyl (daropate) derivative of forskolin, a labdane-type diterpene isolated from the root of Coleus forskohlii. It is obtained from forskolin in 7 steps based upon a series of protections and deprotections of the different OH groups and a key 7,8- transacylation. Colforsin daropate is the first in its class of adenylate cyclase activators to be marketed in the treatment of heart failure. As forskolin, it directly stimulates adenylate cyclase thus increasing intracellular concentration of cAMP and inhibiting calcium mobilization. As a direct consequence, it induces a significant vasodilatation, so provides a moderate positive inotropic and chronotropic effect. In contrast with well-established generators of cAMP synthesis (dobutamine), Colforsin daropate maintains its action on cardiac muscle in the severe stage even when the beta-adrenoceptor is down-regulated in myocardium. In several clinical trials in patients with severe congestive heart failure (CHF), Colforsin daproate improved hemodynamic symptoms of heart failure patients without serious adverse effects.

용도NKH 477 is a water-soluble analog of Forskolin (F701800), that is a potent activator of adenylyl cyclase, which shows some selectivity for cardiac (type V) adenylyl cyclase).

공급사25 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
Ascent Scientific4401179829988 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
BOC Sciences[email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
ChemeGen 中国18818260767 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
HANGZHOU CLAP TECHNOLOGY CO.,LTD86-571-88216897,88216896 13588875226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
北京索莱宝科技有限公司17801761073 18101056239 · [email protected]

관련 반응

0건
반응 기록 만들기

현재 필터 조건에 해당하는 반응 기록이 없습니다.

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트