89778-27-8

• 常用中文名：枸橼酸托瑞米芬
• 常用英文名：Toremifene Citrate
• CAS号：89778-27-8
• 分子式：C₃₂H₃₆ClNO₈
• 分子量：598.083
• 相关类别： 生物化工 抑制剂 内分泌及激素(Endocrinology & Hormones) Estrogen/progestogen Receptor 调节剂
• 发布时间：2018-09-08 15:51:06
• 更新时间：2024-01-02 01:21:40
• Toremifene(NK 622; FC 1157a)柠檬酸盐是第二代选择性雌激素受体调节剂,对雌激素受体的IC50为1μM。

名称

• 中文名: 枸橼酸托瑞米芬
• 英文名: Toremifene Citrate
• 中文别名: 2(4-(4-氯-1,2-二苯基-1-丁烯基)苯氧基-N,N-二甲基乙胺枸橼酸盐; 柠檬酸托瑞米芬; 2[4-(4-氯-1,2-二苯基-1-丁烯基)苯氧基-N,N-二甲基乙胺枸橼酸盐
• 英文别名: 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine,2-hydroxypropane-1,2,3-tricarboxylic acid; 2-{4-[(1Z)-4-Chloro-1,2-diphenyl-1-buten-1-yl]phenoxy}-N,N-dimethylethanamine 2-hydroxy-1,2,3-propanetricarboxylate (salt); 2-{4-[(1Z)-4-Chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate (1:1); 2-{4-[(1Z)-4-Chloro-1,2-diphenyl-1-buten-1-yl]phenoxy}-N,N-dimethylethanamine 2-hydroxy-1,2,3-propanetricarboxylate (1:1); Toremifene Citrate; 2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate (salt); ethanamine, 2-[4-[(1Z)-4-chloro-1,2-diphenyl-1-butenyl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt); 2-Hydroxypropan-1,2,3-tricarbonsäure--2-{4-[(1Z)-4-chlor-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamin(1:1); acide 2-hydroxypropane-1,2,3-tricarboxylique - 2-{4-[(1Z)-4-chloro-1,2-diphénylbut-1-én-1-yl]phénoxy}-N,N-diméthyléthanamine (1:1); Ethanamine, 2-[4-[(1Z)-4-chloro-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt); Toremifene (Citrate)

物化性质

• 密度: 1.045g/cm3
• 沸点: 535.1ºC at 760 mmHg
• 熔点: 158-164ºC
• 分子式: C₃₂H₃₆ClNO₈
• 分子量: 598.083
• 闪点: 277.4ºC
• 精确质量: 597.212952
• PSA: 144.60000
• LogP: 4.96650
• 外观性状: 白色或近乎于白色粉末
• 折射率: 1.416-1.418
• 储存条件: -20°C Freezer
• 水溶解性: DMSO: >10mg/mL

生物活性

• 描述: Toremifene(NK 622; FC 1157a)柠檬酸盐是第二代选择性雌激素受体调节剂,对雌激素受体的IC50为1μM。
• 相关类别:
  信号通路 >> 其他 >> 雌激素受体/ERR
  研究领域 >> 癌症
• 参考文献:

  [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.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : KH2156800 CAS REGISTRY NUMBER : 89778-27-8 LAST UPDATED : 199706 DATA ITEMS CITED : 10 MOLECULAR FORMULA : C26-H28-Cl-N-O.C6-H8-O7 MOLECULAR WEIGHT : 598.14 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 3 gm/kg TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - effect, not otherwise specified Kidney, Ureter, Bladder - incontinence Skin and Appendages - hair TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 520 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Kidney, Ureter, Bladder - incontinence Skin and Appendages - hair TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Primate - monkey DOSE/DURATION : >2 gm/kg TOXIC EFFECTS : Gastrointestinal - hypermotility, diarrhea TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 364 mg/kg/52W-C TOXIC EFFECTS : Brain and Coverings - changes in brain weight Blood - changes in erythrocyte (RBC) count Related to Chronic Data - changes in uterine weight TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 87360 ug/kg/2Y-C TOXIC EFFECTS : Nutritional and Gross Metabolic - weight loss or decreased weight gain TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Primate - monkey DOSE/DURATION : 3640 mg/kg/52W-C TOXIC EFFECTS : Liver - changes in liver weight Blood - pigmented or nucleated red blood cells Related to Chronic Data - changes in ovarian weight MUTATION DATA TEST SYSTEM : Rodent - rat DOSE/DURATION : 35 mg/kg REFERENCE : CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 17,1051,1996 *** 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

安全

• 符号: GHS05, GHS07, GHS09
• 信号词: Danger
• 危害声明: H302-H318-H410
• 警示性声明: P280-P301 + P312 + P330-P305 + P351 + P338 + P310
• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): 26-37/39
• 危险品运输编码: UN 3077 9 / PGIII
• RTECS号: KH2156700
• 海关编码: 2942000000

海关

海关编码	2942000000