Ethanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (Z)-1-(对二甲基氨基乙氧基苯基)-1,2-二苯基-1-丁烯 2-羟基-1,2,3-丙烷三羧酸酯

CAS 54965-24-1 MFCD00058321

化学结构图

54965-24-1
SMILES: CC/C(=C(\C1C=CC=CC=1)/C1C=CC(=CC=1)OCCN(C)C)/C1C=CC=CC=1.OC(=O)C(O)(CC(O)=O)CC(O)=O

化学属性

Mol. FormulaC26H29NO.C6H8O7
Mol. Weight563.70
TSCANo
Melting Point140-144°C

别名和识别编码

Chemical NameEthanamine, 2-[4-[(1Z)-1,2-diphenyl-1-buten-1-yl]phenoxy]-N,N-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
CAS Number54965-24-1
Alfabeta NameDIPHENYLBUTENYLPHENOXYETHYLDIMETHYLAMINEHYDROXYPROPANETRICARBOXYLATE 2412112123[](()----------,,,{}
MDL NumberMFCD00058321
Synonym 枸橼酸他莫昔芬 (Z)-2-(4-(1,2-Diphenyl-1-butenyl)phenoxy)-N,N-dimethylethanamine, citrate cis-1-(4-Dimethylaminoethoxyphenyl)-1,2-diphenyl-1-butene citrate trans-1-(p-beta-Dimethylaminoethoxyphenyl)-1,2-diphenylbut-1-ene citrate 他莫昔芬 柠檬酸盐
EC Number259-415-2
PubChem Substance ID24278059
Merck Number14,9048
Chemical Name Translation(Z)-1-(对二甲基氨基乙氧基苯基)-1,2-二苯基-1-丁烯 2-羟基-1,2,3-丙烷三羧酸酯
Wiswesser Line NotationL6TJ AYR&UY2&R& DO2N1&1 &QV1XQVQ1VQ
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分类

  • {SNA} Antitumor Agents, Approved Therapeutics/Drug Candidates, AstraZeneca, Bioactive Small Molecules, Cancer Research, Cell Biology, Cell Signaling and Neuroscience, Chemopreventive Agents, Drug Efflux Pumps, Estrogen Modulators, Estrogen Response Modifiers, Gene Regulation, Kinase/Phosphatase Biology, Multi-Drug Resistance, Multi-Drug Resistance and Drug Metabolism, Protein Kinase C (PKC), Serine/Threonine Kinase Biology, Serine/Threonine Kinase Inhibitors, Substrates for Drug Efflux Pumps, T, Tumor Growth Regulation

产品应用

  • 用于治疗晚期、复发性乳腺癌和卵巢癌。

相关文献及参考

  • [2]. Hawariah A, et al. In vitro response of human breast cancer cell lines to the growth-inhibitory effects of styrylpyrone derivative (SPD) and assessment of its antiestrogenicity. Anticancer Res. 1998 Nov-Dec;18(6A):4383-6.
  • [3]. Jia Y, et al. Cardiomyocyte-Specific Ablation of Med1 Subunit of the Mediator Complex Causes Lethal DilatedCardiomyopathy in Mice. PLoS One. 2016 Aug 22;11(8):e0160755.
  • [4]. Zhao R, et al. Tamoxifen enhances the Hsp90 molecular chaperone ATPase activity. PLoS One. 2010 Apr 1;5(4):e9934.
  • [5]. Laura Cooper, et al. Screening and Reverse-Engineering of Estrogen Receptor Ligands as Potent Pan-Filovirus Inhibitors. J Med Chem. 2020 Sep 4.
  • Merck:9048
  • [1]. Osborne CK. Tamoxifen in the treatment of breast cancer. N Engl J Med. 1998 Nov 26;339(22):1609-18.
  • [1]. Osborne CK. Tamoxifen in the treatment of breast cancer. N Engl J Med. 1998 Nov 26;339(22):1609-18.
  • [2]. Hawariah A, et al. In vitro respons

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
Precautionary statements
  • P308+P313
  • P201 Obtain special instructions before use. 使用前获取专门指示。
Hazard statements
  • H350 May cause cancer 可能致癌
  • H360 May damage fertility or the unborn child 可能对生育能力或未出生婴儿造成伤害
  • H302 Harmful if swallowed 吞食有害
RTECSKH2387000
Signal word Danger
Personal Protective Equipment Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Hazard Codes T
Safety Statements
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S60 This material and its container must be disposed of as hazardous waste 该物质及其容器必须作为危险废物处置；
  • S20 When using do not eat or drink 使用时，不得进食，饮水；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
Risk Statements
  • R60 May impair fertility 可能降低生殖能力
  • R61 May cause harm to the unborn child 可能对未出生的婴儿导致伤害
  • R45 May cause cancer 可能致癌
  • R64 May cause harm to breast-fed babies 可能导致伤害脯乳期婴儿
  • R22 Harmful if swallowed 吞咽有害
Storage condition 储存温度：2-8℃ Light Sensitive & Hygroscopic 储存温度2-8°C 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 15512 mg/kg/1Y-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Liver - tumors
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 14,315,1993

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1190 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - respiratory depression
   Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
   JZKEDZ Jitchuken Zenrinsho Kenkyuho.  Central Institute for Experimental
   Animals, Research Reports. (Jikken Dobutsu Chuo Kenkyusho, 1433 Nogawa,
   Takatsu-ku, Kawasaki 211, Japan)  V.1-    1975-  Volume(issue)/page/year:
   6,1,1980

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE/DURATION           : 154 mg/kg/1Y-I
TOXIC EFFECTS :
   Sense Organs and Special Senses (Eye) - visual field changes
   Sense Organs and Special Senses

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 62500 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PBPSDY Pharmacological and Biochemical Properties of Drug Substances.
   (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC
   20037)  V.1-    1977-  Volume(issue)/page/year: 2,355,1979

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Human - woman
DOSE/DURATION           : 3600 ug/kg/9D-I
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Gastrointestinal - nausea or vomiting
   Nutritional and Gross Metabolic - changes in calcium
REFERENCE :
   AJMEAZ American Journal of Medicine.  (Technical Pub., 875 Third Ave., New
   York, NY 10022) V.1-    1946-  Volume(issue)/page/year: 88,440,1990

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 1 mg/kg/10D (Intermittent)
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 368,109,1996

TYPE OF TEST            : Sex chromosome loss and nondisjunction
ROUTE OF EXPOSURE       : Oral
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

TYPE OF TEST            : DNA adduct
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - hamster
DOSE/DURATION           : 10 mg/kg
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   52,1360,1992

TYPE OF TEST            : DNA adduct
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 60 mg/kg/3D (Continuous)
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   52,1360,1992

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 1 mg/kg/10D (Intermittent)
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 368,109,1996

TYPE OF TEST            : Cytogenetic analysis
ROUTE OF EXPOSURE       : Oral
TEST SYSTEM             : Rodent - rat
DOSE/DURATION           : 35 mg/kg
REFERENC

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 200 ug/kg
SEX/DURATION            : female 4 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - female fertility index (e.g. # females pregnant
   per # sperm positive females; # females pregnant per # females mated)
REFERENCE :
   BIREBV Biology of Reproduction.  (Soc. for the Study of Reproduction, 309 W.
   Clark St., Champaign, IL 61820)  V.1-    1969-  Volume(issue)/page/year:
   3,61,1970

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 5 mg/kg
SEX/DURATION            : female 3-7 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Fertility - pre-implantation mortality (e.g. reduction in
   number of implants per female; total number of implants per corpora lutea)
REFERENCE :
   JRPFA4 Journal of Reproduction and Fertility.  (Biochemical Soc. Book Depot,
   POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK)  V.1-    1960-
   Volume(issue)/page/year: 13,101,1967

T

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 24500 ug/kg
SEX/DURATION            : male 35 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Paternal Effects - testes, epididymis, sperm duct
   Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland,
   accessory glands
REFERENCE :
   JZKEDZ Jitchuken Zenrinsho Kenkyuho.  Central Institute for Experimental
   Animals, Research Reports. (Jikken Dobutsu Chuo Kenkyusho, 1433 Nogawa,
   Takatsu-ku

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. T - Bioactive Small Molecules
  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Cell Signaling and Neuroscience - Cell Biology
  4. Kinase/Phosphatase Biology - Cell Signaling and Neuroscience
  5. Serine/Threonine Kinase Biology - Kinase/Phosphatase Biology
  6. Serine/Threonine Kinase Inhibitors - Serine/Threonine Kinase Biology
  7. Protein Kinase C (PKC) - Serine/Threonine Kinase Inhibitors
  1. Functional Group 官能团索引
  2. alpha-hydroxyacid
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Protein Kinases and Phosphatases
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Signaling and Neuroscience
  4. Peptides and Proteins
  5. Kinases and Phosphatases
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Proteins and Derivatives
  4. Proteins for Cell Biology
  5. Kinases and Phosphatases
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Signaling and Neuroscience
  4. Multi-Drug Resistance and Drug Metabolism
  5. Multi-Drug Resistance
  6. Detection and Quantitation
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Signaling and Neuroscience
  4. Peptides and Proteins
  5. Proteins for Cell Biology
  6. Immune System Proteins
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Cell Signaling and Neuroscience
  4. Kinase/Phosphatase Biology
  5. Serine/Threonine Kinase Biology
  6. Serine/Threonine Kinase Inhibitors
  7. Protein Kinase A, C, and G (PKA, PKC, PKG)
  1. Medical Research Areas
  2. Metabolism
  3. HSP  (热休克蛋白)

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