トレミフェンクエン酸塩

Toremifene Citrate

HCID 3005572

基本情報

CAS
89778-27-8
標準SMILES
CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIKey
IWEQQRMGNVVKQW-OQKDUQJOSA-N
分子式
C32H36ClNO8
平均分子量
598.1 g/mol
単同位体質量
597.21294479

概要

Toremifene citrate is a stilbenoid. It has a role as an anticoronaviral agent.

名称と識別子

優先名称
Toremifene Citrate
IUPAC
2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
現地名
トレミフェンクエン酸塩
英語名
Toremifene citrate
分子式
C26H28ClNO.C6H8O7
分子量
598.08

名称と別名

TOREMIFENE CITRATE89778-27-8DTXSID2021367FC 1157aFC-1157aNSC-613680NSC6136802498Y783QTDTXCID301367Ethanamine, 2-(4-(4-chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethyl-, (Z)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)Citrate, ToremifeneRefChem:57434
名称をさらに表示
トレミフェンくえん酸塩2-[4-[(Z)-4-クロロ-1,2-ジフェニル-1-ブテニル]フェノキシ]-N,N-ジメチルエチルアミン=クエン酸塩クエン酸トレミフェン2-[4-[(Z)-4-クロロ-1,2-ジフェニル-1-ブテニル]フェノキシ]-N,N-ジメチルエタンアミン·くえん酸塩フェアストン2-[4-[(Z)-4-クロロ-1,2-ジフェニル-1-ブテニル]フェノキシ]-N,N-ジメチルエタンアミン·くえん酸(Z)-2-[4-(4-クロロ-1,2-ジフェニル-1-ブテニル)フェノキシ]-N,N-ジメチルエタンアミンくえん酸塩(Z)-4-クロロ-1-(4-ジメチルアミノエトキシフェニル)-1,2-ジフェニル-1-ブテンくえん酸塩トレミフェン クエン酸塩トレミフェンクエン酸塩 (JAN)2-[4-[(Z)-4-クロロ-1,2-ジフェニル-1-ブテニル]フェノキシ]-N,N-ジメチルエタンアミン・くえん酸塩2-[4-[(Z)-4-クロロ-1,2-ジフェニル-1-ブテニル]フェノキシ]-N,N-ジメチルエタンアミン・くえん酸nk622Ccris 6719Nsc 613680ToremifineToremifene citratOremifene CitrateToremefene Citrate
Toremifene Citrate (1:1)FC1157a2-(p-((Z)-4-chloro-1,2-diphenyl-1-butenyl)-phenoxy)-N,N-dimethylethylamine citrate (1:1)(Z)-2-(4-(4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine 2-Hydroxy-1,2,3-propanetricarboxylate (1:1)FarestonToremifene citrate [USAN]MFCD017290162-(p-((Z)-4-Chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-dimethylethylamine citrate (1:1)

データベース識別子

CAS
89778-27-8
PubChem CID
3005572
DTXSID
DTXSID2021367
ChEMBL
CHEMBL1200675
ChEBI
CHEBI:9636
UNII
2498Y783QT
EC Number
663-344-6

物性

構造計算による物性

極性表面積
145 Ų
水素結合供与体数
4
水素結合受容体数
9
回転可能結合数
14
重原子数
42

実験および物理化学的性質

Solubility4.4 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs · 2 件

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Collision Cross Section203 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

物理化学的性質

融点
160 · 160-162°C
沸点
146 · 146-148C
比重(密度)
1 · 1,045g/cm
屈折率
1 · 1,416-1,418
貯蔵温度
2 · 2-8°C
溶解性
10 mg/mL · DMSO:>10mg/mL

化学的性質

化学的特性White-to-Off-White Solid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 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 (97.6%)

毒性情報

Drug Induced Liver Injury · 6 件

Drug Induced Liver Injury Rank (DILIrank 2.0)

Toremifene citrate

Ambiguous-DILI-concern

3

Warnings & precautions

DOI:10.1016/j.drudis.2016.02.015

安全データ

wgk
3
rtecs
KH2156700
ridadr
UN 3077 9 / PGIII
risk_code
36/37/38-50/53-41-22
hazard_code
Xi,N,Xn
safety_code
26-37/39-61-60-39

化学と産業

薬理情報

FDA Pharmacological Classification · 2 件

TOREMIFENE CITRATE

Selective Estrogen Receptor Modulators [MoA]; Estrogen Agonist/Antagonist [EPC]

MeSH Pharmacological Classification · 3 件

Antineoplastic agents that are used to treat hormone-sensitive tumors. Hormone-sensitive tumors may be hormone-dependent, hormone-responsive, or both. A hormone-dependent tumor regresses on removal of the hormonal stimulus, by surgery or pharmacological block. Hormone-responsive tumors may regress when pharmacologic amounts of hormones are administered regardless of whether previous signs of hormone sensitivity were observed. The major hormone-responsive cancers include carcinomas of the breast, prostate, and endometrium; lymphomas; and certain leukemias. (From AMA Drug Evaluations Annual 1994, p2079)

A structurally diverse group of compounds distinguished from ESTROGENS by their ability to bind and activate ESTROGEN RECEPTORS but act as either an agonist or antagonist depending on the tissue type and hormonal milieu. They are classified as either first generation because they demonstrate estrogen agonist properties in the ENDOMETRIUM or second generation based on their patterns of tissue specificity. (Horm Res 1997;48:155-63)

Agents that inhibit BONE RESORPTION and/or favor BONE MINERALIZATION and BONE REGENERATION. They are used to heal BONE FRACTURES and to treat METABOLIC BONE DISEASES such as OSTEOPOROSIS.

応用分野 · 3 件

説明Toremifene (citrate) is an orally bioavailable selective estrogen receptor modulator (SERM) that evokes tissue-dependent effects similar to that of tamoxifen . It has been shown to block estrogen-stimulated growth of MCF-7 breast cancer cells grown in tissue culture, to inhibit ovariectomy-induced bone loss in rats, and to stimulate endometrial growth similar to that of tamoxifen.

使用Toremifene citrate salt has been used:in cell-based ELISAas a positive control to detect its antiviral activity against Ebola virus (EBOV)to treat MCF7 and T47D breast cancer cell lines

一般的な説明Toremifene, 2-[4-[(1Z)-4-chloro-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethylethanamine(Fareston), differs structurally fromtamoxifen only by having a chloroethyl group (rather than anethyl group) attached to the triphenylethylene structure. Asmight be expected, the pharmacological actions of toremifeneand tamoxifen are quite similar. Toremifene is also a SERM,with estrogen antagonist action in breast tissue but agonist actionin the endometrium, on bone tissue, and on serum lipidprofiles. Recent clinical data indicate that the incidence ofendometrial cancer is lower with toremifene use than with tamoxifen. Toremifene is used in the treatment of metastaticbreast cancer in postmenopausal women.

サプライヤー100 社

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
Shanghai Biolang Biotechnology Co., Ltd.+86-15970428662 +86-13397199602 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Hebei shuoxi biotechnology co. LTD+8613081092107

関連反応

2 件

化合物ノート

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