4-chloro-11β-(4-(2-(diethylamino)ethoxy)phenyl)estra-1,3,5(10)-trien-3,17-diol | 214140-47-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: 4-chloro-11β-(4-(2-(diethylamino)ethoxy)phenyl)estra-1,3,5(10)-trien-3,17-diol
• 英文别名: 4-chloro-11β-[4-[2-(diethylamino)ethoxy]phenyl]-estra-1,3,5(10)-triene-3,17beta-diol；4-Chloro-11beta-(4-(2-(diethylamino)ethoxy)phenyl)-estra-1,3,5(10)-triene-3, 17beta-diol；(8S,9R,11S,13S,14S,17S)-4-chloro-11-[4-[2-(diethylamino)ethoxy]phenyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
• CAS: 214140-47-3
• 化学式: C₃₀H₄₀ClNO₃
• 分子量: 498.106
• InChiKey: JNKQAHJZAUFSLB-BAWYVGMJSA-N

物化性质

• 沸点：
  617.8±55.0 °C(Predicted)
• 密度：
  1.178±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  52.9
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-(4-溴苯氧基)-N,N-二乙基-乙胺 在 吡啶 、 sodium tetrahydroborate 、 氯化亚砜 、 乙酸酐 、 copper(l) chloride 、 potassium hydroxide 、 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 11.0h， 生成 4-chloro-11β-(4-(2-(diethylamino)ethoxy)phenyl)estra-1,3,5(10)-trien-3,17-diol
  参考文献：
  名称：

  Industrial Synthesis of 4-Chloro,11β-arylestradiol: How to Circumvent a Poor Diastereoselectivity

  摘要：

  An industrial synthesis of 11beta-arylestrone derivatives is described, based on the conjugate opening of a mixture of allylic 5(10)-alpha and -beta epoxides by an aryl cuprate generated catalytically, followed by hydrolysis and subsequent aromatisation of the isomeric mixture of arylation products. An original method for selective 4-chlorination of estrone derivatives is also described.

  DOI：

  10.1021/op0341622

文献信息

• New 4-halogenated steroids, their preparation process and intermediates, their use as medicaments and the pharmaceutical compositions containing them
  申请人：Hoechst Marion Roussel

  公开号：US20010005756A1

  公开（公告）日：2001-06-28

  A subject of the invention is the compounds of formula (I): 1 in which X is a halogen atom, D represents the remainder of an optionally substituted pentagonal or hexagonal ring and optionally carrying an unsaturation, R 1 , R 2 , R 3 , R 4 , Y and n are as defined in the description, their preparation process and intermediates, their use as medicaments and the compositions containing them.

  本发明的主题是公式（I）的化合物：1其中X是卤素原子，D代表可选择取代的五角形或六角形环的余数，可选地带有不饱和度，R1，R2，R3，R4，Y和n如描述中所定义，它们的制备过程和中间体，它们作为药物的用途以及包含它们的组合物。
• 4-halogenated steroids, their preparation process and intermediates, their use as medicaments and the pharmaceutical compositions containing them
  申请人：——

  公开号：US20020040135A1

  公开（公告）日：2002-04-04

  A subject of the invention is the compounds of formula (I): 1 in which X is a halogen atom, D represents the remainder of an optionally substituted pentagonal or hexagonal ring and optionally carrying an unsaturation, R 1 , R 2 , R 3 , R 4 , Y and n are as defined in the description, their preparation process and intermediates, their use as medicaments and the compositions containing them.

  本发明的主题是公式（I）的化合物：1其中X是卤素原子，D代表一个可选择取代的五边形或六边形环的余数，可选择携带不饱和度，R1，R2，R3，R4，Y和n如描述中所定义，它们的制备过程和中间体，它们作为药物的用途以及包含它们的组合物。
• Sequential Administration of Chemotherapeutic Agents for Treatment of Cancer
  申请人：Wang Yaolin

  公开号：US20110129456A1

  公开（公告）日：2011-06-02

  The present invention relates to the sequential administration of a cytotoxic agent followed by an IGF1R antagonist (e.g., an antibody) for the treatment of hyperproliferative disorders including cancer.

  本发明涉及采用细胞毒性药物后接IGF1R拮抗剂（例如抗体）的顺序治疗高增殖性疾病，包括癌症。
• NOUVEAUX STEROIDES 4-HALOGENES, LEUR PROCEDE ET INTERMEDIAIRES DE PREPARATION, LEUR APPLICATION COMME MEDICAMENTS ET LES COMPOSITIONS PHARMACEUTIQUES LES RENFERMANT
  申请人：Aventis Pharma S.A.

  公开号：EP0973793B1

  公开（公告）日：2002-07-10
• SEQUENTIAL ADMINISTRATION OF CHEMOTHERAPEUTIC AGENTS FOR TREATMENT OF CANCER
  申请人：Schering Corporation

  公开号：EP2282739A2

  公开（公告）日：2011-02-16