トリメタジジン塩酸塩

Trimetazidine Dihydrochloride

HCID 83201CAS 13171-25-0

基本情報

標準SMILES
COc1ccc(CN2CCNCC2)c(OC)c1OC.Cl.Cl
InChIKey
VYFLPFGUVGMBEP-UHFFFAOYSA-N
分子式
C14H24Cl2N2O3
平均分子量
339.3 g/mol
単同位体質量
338.11639799

概要

Trimetazidine hydrochloride is an aromatic amine.

名称と識別子

優先名称
Trimetazidine Dihydrochloride
IUPAC
1-[(2,3,4-trimethoxyphenyl)methyl]piperazine;dihydrochloride
現地名
トリメタジジン塩酸塩
英語名
Trimetazidine dihydrochloride
分子式
C14H24Cl2N2O3
分子量
339.26

名称と別名

Trimetazidine dihydrochloride13171-25-01-(2,3,4-Trimethoxybenzyl)piperazine dihydrochlorideTrimetazidine hydrochlorideKyurinettTrimetazidine HClTrimetazidine di-hclDTXSID1045407Trimethazidine dihydrochloride48V6723Z1PNSC-759317DTXCID9025407
名称をさらに表示
1-(2,3,4-トリメトキシベンジル)ピペラジン·2塩酸塩タックミントトリメタジジン·2塩酸塩バスタレルFトリメタジン塩酸塩塩酸トリメタジジン1-(2,3,4-トリメトキシベンジル)ピペラジン·二塩酸塩ヨウメタジンバスタレル1-(2,3,4-トリメトキシベンジル)ピペラジン二塩酸塩トリメタジジン二塩酸塩トリメタジジン塩酸塩トリメタジジン塩酸塩 (JP17)1-(2,3,4-トリメトキシベンジル)ピペラジン・2塩酸塩1-(2,3,4-トリメトキシベンジル)ピペラジン・二塩酸塩トリメタジジン・2塩酸塩s4004TakkmintvastarelYoshimilonVastarel FYoumetazineTrimetazidine 3HCl
RefChem:191733Dihydrochloride, Trimetazidine236-117-01-[(2,3,4-trimethoxyphenyl)methyl]piperazine dihydrochlorideTrimetazidine 2HClMFCD00243086Trimetazidine (dihydrochloride)Trimetazidine hydrochloride [JAN]

データベース識別子

CAS
13171-25-0
PubChem CID
83201
DTXSID
DTXSID1045407
ChEMBL
CHEMBL3561076
ChEBI
CHEBI:32262
UNII
48V6723Z1P
EC Number
236-117-0

物性

構造計算による物性

極性表面積
43 Ų
水素結合供与体数
3
水素結合受容体数
5
回転可能結合数
5
重原子数
21

実験および物理化学的性質

Collision Cross Section159.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

物理化学的性質

融点
231 · 231-235 °C(lit.)
貯蔵温度
Refrigerator
溶解性
水に溶けやすく、アルコールにやや溶けにくい。
外見
Solid
色
ホワイトからオフホワイト
Merck
14 · 14,9705

化学的性質

化学的特性Crystalline Solid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 111 reports by companies from 17 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (98.2%)

安全データ

wgk
3
rtecs
TM2976100
毒性
LD50 in male, female mice, rats (mg/kg): 91, 107, 124, 124 i.v.; 264, 245, 327, 288 i.p.; 528, 608, 1147, 987 orally (Harpey)
hs_code
29339900
risk_code
22-36/37/38
hazard_code
Xn,Xi

化学と産業

薬理情報

MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.
応用分野 · 3 件

用途血管拡張作用による狭心症、心筋梗塞などの治療薬。

説明Trimetazidine (hydrochloride) (Item No. 18165) is an analytical reference standard that is structurally categorized as a piperazine. It decreases fatty acid β-oxidation by reversibly inhibiting mitochondrial long-chain 3-ketoacyl thiolase (IC50 = 75 nM). This, in turn, stimulates glucose oxidation. In ischemic heart, trimetazidine reduces ischemia/reperfusion injury in clinical trials. Compounds that reduce mitochondrial fatty acid β-oxidation, including trimetazidine, have shown clinical efficacy against chronic stable angina in clinical trials. In part because of its ability to ameliorate testosterone cardiotoxicity, trimetazidine has been classified as a prohibited substance by the World Anti-Doping Agency. This product is intended for research and forensic applications.

使用1-(2,3,4-Trimethoxybenzyl)piperazine dihydrochloride or trimetazidine dihydrochloride can be used as a building block to synthesize: Phenylpropyl trimetazidine derivatives with potent cerebral vasodilator activity.Benzoylguanidine-trimetazidine derivatives for myocardial ischemic-reperfusion activity studies.

サプライヤー50 社

北京华美互利生物化工010-56205725 · [email protected]
上海策嵘生物科技有限公司[email protected]
HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
山东雨禾医药科技有限公司15263077727

関連反応

2 件

関連ノート

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