CAS 24815-24-5|Tenamine|Rescisan|Anapral|Raurescine|Rozex|Cinnasil|Resealoid|Methyl Trimethoxycinnamoylreserpate|Raupyrol|Rescinnamine|methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-{[3-(3,4,5-tr...

基本信息

化学结构

分子式

C₃₅H₄₂N₂O₉

分子量

634.71598

精确质量

634.28903093

电荷

InChI

InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/t20-,24+,26-,29-,31+,34+/m1/s1

InChIKey

SZLZWPPUNLXJEA-LAFLMMDJSA-N

Canonic Smiles

COc1ccc2c(c1)[nH]c1c2CCN2[C@@H]1C[C@H]1[C@@H](C2)C[C@H]([C@@H]([C@H]1C(=O)OC)OC)OC(=O)C=Cc1cc(OC)c(c(c1)OC)OC

Isomeric Smiles

O([C@@H]1[C@H]([C@@H]2[C@@H](CN3[C@H](C2)c2[nH]c4c(c2CC3)ccc(OC)c4)C[C@H]1OC(=O)C=Cc1cc(OC)c(OC)c(OC)c1)C(=O)OC)C

计算属性

JChem

Acid pKa

16.290113

质子受体

质子供体

LogD (pH = 5.5)

2.2718618

LogD (pH = 7.4)

3.816317

Log P

4.070087

摩尔折射率

171.1642

极化性

67.82844

极化表面积

117.78

可自由旋转的化学键

里宾斯基五规则

false

ALOGPS 2.1

Log P

4.48

LOG S

-5.26

溶解度

3.49e-03 g/l

数据来源

学术数据

数据来源

名称和标识

IUPAC标准名

methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-3,13-diazapentacyclo[11.8.0.0^{2,10}.0^{4,9}.0^{15,20}]henicosa-2(10),4,6,8-tetraene-19-carboxylate methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-3,13-diazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-2(10),4,6,8-tetraene-19-carboxylate

商标名

RaupyrolTenamineRescisanCartricRozexResealoidCinnasilRaurescineAnapralRescaminRescaloidNormorescinaRescidanApolonApoterinModerilParesinanApoterin SResipalReskinnaminTuaregCinatabsRescinpalRescinRaurescinAnaprelCinnaloidTsuruselpi SRecitensinaCinamineScinnaminaRescitens

别名

Methyl TrimethoxycinnamoylreserpateRescinnamineReserpinineTrimethoxycinnamoyl Methyl ReserpateReserpineneReserpininRecinnamineRescinnaminmethyl (1''R'',15''S'',17''R'',18''R'',19''S'',20''S'')-6,18-dimethoxy-17-{[(2''E'')-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-3,13-diazapentacyclo[11.8.0.0^2,10.0^4,9.0^15,20]henicosa-2(10),4(9),5,7-tetraene-19-carboxylate

IUPAC传统名

rescinnamine

名称和标识

数据登录号

PubChem SID

PubChem CID

维基百科标题

ATC码

CAS号

CHEBI ID

Chemspider ID

KEGG ID

美国药典/FDA物质标识码

CHEMBL

DrugBank ID

数据登录号

化合物性质

理化性质

疏水性(logP)

3.5

药理学性质

给药途径

oral

法定药品分级

Rx-only

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

DrugBank

DB01180

Drug Groups

approved

Description

Rescinnamine is an angiotensin-converting enzyme inhibitor used as an antihypertensive drug. It is an alkaloid obtained from Rauwolfia serpentina and other species of Rauwolfia. [Wikipedia]

Indication

For the treatment of hypertension.

Pharmacology

Used to treat hypertension. Rescinnamine inhibits angiotensin-converting enzyme. ACE is a peptidyl dipeptidase that catalyzes the conversion of angiotensin I to the vasoconstrictor substance, angiotensin II. Angiotensin II also stimulates aldosterone secretion by the adrenal cortex and general vasoconstriction, both of which lead to increases vascular resistance. By inhibiting angiotensin II, aldosterone reabsorption is decreased as well as vasoconstriction. This combined effect serves to decrease blood pressure.

Affected Organisms

Humans and other mammals

External Links

• [Wikipedia]

Wikipedia

Rescinnamine

描述信息

参考文献

PubChem文献

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参考文献