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569-57-3生产厂家

569-57-3价格

569-57-3

569-57-3结构式
569-57-3结构式
  • 常用中文名:氯烯雌醚
  • 常用英文名:Chlorotrianisene
  • CAS号:569-57-3
  • 分子式:C23H21ClO3
  • 分子量:380.86400
  • 相关类别: 原料药 激素及调节内分泌功能类药 雌激素及孕激素类药
  • 发布时间:2018-05-17 08:00:00
  • 更新时间:2024-01-08 02:09:53
  • Chlorotrianisene 是一种长效的非甾体雌激素,是一种口服活性雌激素受体调节剂。Chlorotrianisene 具有抗雌激素活性。Chlorotrianisene 还有效抑制 COX-1 并抑制全血中的血小板聚集。

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中文名 氯烯雌醚
英文名 chlorotrianisene
中文别名 泰舒
英文别名 1-chloro-1,2,2-tris(p-methoxyphenyl)ethene
TACE
1,1',1''-(1-chloro-1-ethenyl-2-ylidene)tris[4-methoxy-benzene]
Chlortrianisestrol
Merbentul
Chlorestrolo
Chlorotrianisene
Tris-(4-methoxy-phenyl)-vinylchlorid
chloro-tris-(4-methoxy-phenyl)-ethene
Chlorotrianizen
Chlor-tris-(4-methoxy-phenyl)-aethen
Chlortrianisen
Chloortrianisestrol
1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene
Chlorotrianisine
Chlortrianizen
2-Chlor-1,1,2-tris-(4-methoxy-phenyl)-aethylen
描述 Chlorotrianisene 是一种长效的非甾体雌激素,是一种口服活性雌激素受体调节剂。Chlorotrianisene 具有抗雌激素活性。Chlorotrianisene 还有效抑制 COX-1 并抑制全血中的血小板聚集。
相关类别
靶点

Estrogen receptor[1] COX-1[2]

体外研究 氯三尼生与大鼠子宫细胞内雌激素受体(ER)亲和力的比较初步表明,ER的激活可能是一种生长刺激机制。在MCF-7细胞中,氯三氮烯具有浓度依赖性的细胞生长刺激作用,EC50为28nm,Ki为500nm[1]。
体内研究 氯三尼辛与大鼠肝微粒体和NADPH孵育产生一种反应性中间体,与蛋白质共价结合。中间体可使子宫雌激素受体失活。在产生中间产物的条件下,在大鼠子宫存在下,氯三氮烯与大鼠肝微粒体和NADPH孵育,明显降低了雌激素受体对[3H]雌二醇(E2)的结合能力[3]。
参考文献

[1]. Ruenitz PC, et al. Estrogenic tamoxifen derivatives: categorization of intrinsic estrogenicity in MCF-7 cells. J Steroid Biochem Mol Biol. 1997 Nov-Dec;63(4-6):203-9.

[2]. Lounkine E, et al. Large-scale prediction and testing of drug activity on side-effect targets. Nature. 2012 Jun 10;486(7403):361-7.

[3]. Kupfer D, et al. Inactivation of the uterine estrogen receptor binding of estradiol during P-450 catalyzed metabolism of chlorotrianisene (TACE). Speculation that TACE antiestrogenic activity involves covalent binding to the estrogen receptor. FEBS Lett. 1990 Feb 12;261(1):59-62.

密度 1.168g/cm3
沸点 514.2ºC at 760mmHg
熔点 114-116ºC
分子式 C23H21ClO3
分子量 380.86400
闪点 164.1ºC
精确质量 380.11800
PSA 27.69000
LogP 5.86780
外观性状 粉末
折射率 1.591
储存条件 -70°C
计算化学

1.疏水参数计算参考值(XlogP):6.4

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:6

5.互变异构体数量:无

6.拓扑分子极性表面积:27.7

7.重原子数量:27

8.表面电荷:0

9.复杂度:442

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KV0600000
CHEMICAL NAME :
Ethylene, chlorotris(p-methoxyphenyl)-
CAS REGISTRY NUMBER :
569-57-3
BEILSTEIN REFERENCE NO. :
1891845
LAST UPDATED :
199612
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C23-H21-Cl-O3
MOLECULAR WEIGHT :
380.89
WISWESSER LINE NOTATION :
1OR DYGUYR DO1&R DO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
37 mg/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Behavioral - changes in motor activity (specific assay)
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 11,489,1967
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg/89W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Endocrine - tumors Reproductive - Tumorigenic effects - testicular tumors
REFERENCE :
AMPLAO AMA Archives of Pathology. (Chicago, IL) V.50(4)-69, 1950-60. For publisher information, see APLMAS. Volume(issue)/page/year: 50,750,1950 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
48 mg/kg
SEX/DURATION :
female 14 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility
REFERENCE :
OBGNAS Obstetrics and Gynecology. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1953- Volume(issue)/page/year: 8,399,1956 *** REVIEWS *** 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: 21,139,1979 TOXICOLOGY REVIEW ACRSAJ Advances in Cancer Research. (Academic Press, Inc., 465 S. Lincoln Dr., Troy, MO 63379) V.1- 1953- Volume(issue)/page/year: 1,173,1953 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84523 No. of Facilities: 14 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 1134 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84523 No. of Facilities: 18 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 229 (estimated) No. of Female Employees: 114 (estimated)

WGK德国 3
RTECS号 KV0600000