CAS Number89778-26-7
Synonyms(Z)-Toremifene; 2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine; MFCD00801070; 2-{4-[(1Z)-4-Chloro-1,2-diphenyl-1-buten-1-yl]phenoxy}-N,N-dimethylethanamine; 2-({4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenyl}oxy)-N,N-dimethylethanamine; Toremifene Base; 2-(4-(4-Chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)-N,N-dimethylethanamine; Toremifene; 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine; (Z)-4-Chloro-1,2-diphenyl-1-[4-[2-(N,N-dimethylamino)ethoxy]phenyl]-1-butene; (Z)-2-[4-(4-Chloro-1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine
Molecular FormulaC26H28ClNO
Molecular Weight405.960
Purity98%
Density1.1±0.1 g/cm3
Boiling Point535.1±50.0 °C at 760 mmHg
Melting Point108-110°C
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 89778-26-7 |
| Catalog No. | 2A-9012784 |
| Chinese Name | 托瑞米芬 |
| Synonyms | (Z)-Toremifene; 2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine; MFCD00801070; 2-{4-[(1Z)-4-Chloro-1,2-diphenyl-1-buten-1-yl]phenoxy}-N,N-dimethylethanamine; 2-({4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenyl}oxy)-N,N-dimethylethanamine; Toremifene Base; 2-(4-(4-Chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)-N,N-dimethylethanamine; Toremifene; 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine; (Z)-4-Chloro-1,2-diphenyl-1-[4-[2-(N,N-dimethylamino)ethoxy]phenyl]-1-butene; (Z)-2-[4-(4-Chloro-1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine |
| Molecular Formula | C26H28ClNO |
| Molecular Weight | 405.960 |
| Purity | 98 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 535.1±50.0 °C at 760 mmHg |
| Melting Point | 108-110°C |
| Storage Condition | 2-8℃ |
| Packaging | III |
| Application | Toremifene (NK 622; FC 1157a) is a second-generation selective estrogen receptor modulator with an IC50 of 1 μM for the estrogen receptor. |
| HTC | 2922299090 |
| SMILES | CN(C)CCOc1ccc(C(=C(CCCl)c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25- |
| InChI Key | XFCLJVABOIYOMF-QPLCGJKRSA-N |
| Hazard Symbols | 9 |
| Use of | Properties Name toremifene Synonym More Synonyms Toremifene Biological Activity Related Catalog Signaling Pathways >> Others >> Estrogen Receptor/ERR Research Areas >> Cancer References [1]. Matthew R Smith, Selective Estrogen Receptor Modulators to Prevent Treatment-Related Osteoporosis.Rev Urol. 2005; 7(Suppl 3): S30-S35. [2]. Gauri J Sabnis, Luciana Macedo, Olga Goloubeva, Toremifene - Atamestane; Alone or In Combination: Predictions from the Preclinical Intratumoral Aromatase Model. J Steroid Biochem Mol Biol. 2008 January; 108(1-2): 1-7. [3]. Taneja SS, Morton R, Barnette G, Prostate cancer diagnosis among men with isolated high-grade intraepithelial neoplasia enrolled onto a 3-year prospective phase III clinical trial of oral toremifene. J Clin Oncol. 2013 Feb 10;31(5):523-9. Chemical & Physical Properties Exact Mass 405.185944 PSA 12.47000 Index of Refraction 1.588 InChIKey XFCLJVABOIYOMF-QPLCGJKRSA-N Storage condition 2-8℃ Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Ethanamine, 2-(4-(4-chloro-1,2-diphenyl-1-butenyl)phenoxy)-N,N-di methyl-, (Z)- CAS REGISTRY NUMBER : 89778-26-7 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C26-H28-Cl-N-O MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Gastrointestinal - other changes Tumorigenic - active as anti-cancer agent TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases Biochemical - Metabolism (Intermediary) - other proteins TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol) Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases Biochemical - Metabolism (Intermediary) - other proteins TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : SEX/DURATION : female 30 day(s) pre-mating TOXIC EFFECTS : Reproductive - Maternal Effects - other effects MUTATION DATA TEST SYSTEM : Rodent - rat DOSE/DURATION : 36300 ug/kg REFERENCE : CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 18,303,1997 *** REVIEWS *** IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 66,367,1996 IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 66,367,1996 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 66,367,1996 Safety Information Hazard Codes Xi Risk Phrases R37:Irritating to the respiratory system. R43:May cause sensitization by skin contact. RIDADR UN 2210 RTECS ZB3200000 Packaging Group III Hazard Class 9 HS Code 2922299090 Synthetic Route Total: 1 Page CAS#:1262682-37-0 Toremifene CAS#:89778-26-7 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary 2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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