Toremifene Citrate

HCID 3005572CAS 89778-27-8

Grundinformationen

Standard-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
Summenformel
C32H36ClNO8
Durchschnittliche Molmasse
598,1 g/mol
Monoisotopische Masse
597,21294479

Überblick

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

Namen und Bezeichner

Bevorzugter Name
Toremifene Citrate
IUPAC
2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
Englischer Name
Toremifene citrate
Summenformel
C26H28ClNO.C6H8O7
Molmasse
598.08

Namen und Synonyme

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
Weitere Namen anzeigen
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)

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
145 Ų
H-Brücken-Donoren
4
H-Brücken-Akzeptoren
9
Frei drehbare Bindungen
14
Schwere Atome
42

Experimentelle und physikochemische Eigenschaften

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

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]

Physikochemische Eigenschaften

Schmelzpunkt
160 · 160-162°C
Siedepunkt
146 · 146-148C
Dichte
1 · 1,045g/cm
Brechungsindex
1 · 1,416-1,418
storage temp.
2 · 2-8°C
Löslichkeit
10 mg/mL · DMSO: >10mg/mL

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Toxikologische Informationen

Drug Induced Liver Injury · 6 Einträge

Drug Induced Liver Injury Rank (DILIrank 2.0)

Toremifene citrate

Ambiguous-DILI-concern

3

Warnings & precautions

DOI:10.1016/j.drudis.2016.02.015

Sicherheitsdaten

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

Chemie und Industrie

Pharmakologische Informationen

FDA Pharmacological Classification · 2 Einträge

TOREMIFENE CITRATE

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

MeSH Pharmacological Classification · 3 Einträge

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.

Anwendungen · 2 Einträge

BeschreibungToremifene (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.

VerwendenToremifene 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

Anbieter50 Anbieter

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

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