1,1-dichloro-2-(3-methylsulfonyl-4-chlorophenyl)-2-(4-chlorophenyl)ethene | 62938-13-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,1-dichloro-2-(3-methylsulfonyl-4-chlorophenyl)-2-(4-chlorophenyl)ethene
• 英文别名: 3-methylsulfonyl-2,2-bis(4-chlorophenyl)-1,1-dichloroethene；Benzene, 1-chloro-4-(2,2-dichloro-1-(4-chlorophenyl)ethenyl)-2-(methylsulfonyl)-；1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]-2-methylsulfonylbenzene
• CAS: 62938-13-0
• 化学式: C₁₅H₁₀Cl₄O₂S
• 分子量: 396.121
• InChiKey: HGEVTAPPAACBMY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,1-dichloro-2-(3-methylsulfonyl-4-chlorophenyl)-2-(4-chlorophenyl)ethene 在 chromium(VI) oxide 作用下， 以 溶剂黄146 为溶剂， 生成 (4-氯-3-甲基磺酰基苯基)-(4-氯苯基)甲酮
  参考文献：
  名称：

  Synthesis of Methanesulfonyl Derivatives of 2,2-Bis(4-chlorophenyl)-1,1-dichloroethylene (p,p'-DDE), Present in Seal from the Baltic.

  摘要：

  DOI：

  10.3891/acta.chem.scand.31b-0090
• 作为产物：
  描述：

  1,1'-(二氯乙烯基)双(氯苯) 、 甲基磺酸酐 生成 1,1-dichloro-2-(3-methylsulfonyl-4-chlorophenyl)-2-(4-chlorophenyl)ethene
  参考文献：
  名称：

  Synthesis of Methanesulfonyl Derivatives of 2,2-Bis(4-chlorophenyl)-1,1-dichloroethylene (p,p'-DDE), Present in Seal from the Baltic.

  摘要：

  DOI：

  10.3891/acta.chem.scand.31b-0090

文献信息

• Novel treatment of adrenocortical hypersecretion and tumour growth
  申请人：——

  公开号：US20040242705A1

  公开（公告）日：2004-12-02

  The present invention relates to novel treatment of adrenocortical hypersecretion. More specifically, the present invention relates to chemical substances having selective adrenal toxicity for use in medicine, especially for treatment of adrenocortical hypersecretion and tumour growth. For this purpose the present invention provides a compound having the following formula for use in medicine, especially human medicine wherein the first phenyl ring comprises one or more substituents R 1 which is halogen (F, CI, Br or I), preferably in position 4; R 2 and R 3 are halogen, A is a single or double bond between the side chain carbon atoms; the second phenyl ring comprises an electrophilic group R 4 , preferably in position 3, which is SO 2 R 5 or its metabolic precursors S R 5 and SOR 5 , NO 2 or CF 3 where R 5 is H or a lower alkyl, especially CH 3 ; and one or more substituents R 6 which is halogen (F, Cl, Br or I), preferably in position 4. 1

  本发明涉及肾上腺皮质分泌过多的新型治疗方法。更具体地说，本发明涉及具有选择性肾上腺毒性的化学物质，用于医学，特别是肾上腺皮质分泌过多和肿瘤生长的治疗。为此，本发明提供了一种具有下式的化合物，可用于医药，特别是人类医药 其中第一个苯基环包括一个或多个取代基 R 1 是卤素（F、CI、Br 或 I），最好位于第 4 位；R 2 和 R 3 为卤素，A 为侧链碳原子之间的单键或双键；第二个苯环包括亲电基团 R 4 ，最好位于位置 3，它是 SO 2 R 5 或其代谢前体 S R 5 和 SOR 5 NO 2 或 CF 3 其中 R 5 是 H 或低级烷基，尤其是 CH 3 和一个或多个取代基 R 6 是卤素（F、Cl、Br 或 I），最好位于位置 4。 1
• BERGMANN A,; WACHTMEISTER C. A., ACTA CHEM. SCAND. <ACSA-A4>, 1977, B 31, NO 1, 90-91
  作者：BERGMANN A,、 WACHTMEISTER C. A.

  DOI：——

  日期：——
• NOVEL TREATMENT OF ADRENOCORTICAL HYPERSECRETION AND TUMOUR GROWTH
  申请人：Brandt, Ingvar

  公开号：EP1412311A1

  公开（公告）日：2004-04-28
• US7091248B2
  申请人：——

  公开号：US7091248B2

  公开（公告）日：2006-08-15
• [EN] NOVEL TREATMENT OF ADRENOCORTICAL HYPERSECRETION AND TUMOUR GROWTH<br/>[FR] NOUVEAU TRAITEMENT DE L'HYPERSECRETION CORTICOSURRENALE ET LA CROISSANCE TUMORALE
  申请人：BRANDT INGVAR

  公开号：WO2003002495A1

  公开（公告）日：2003-01-09

  The present invention relates to novel treatment of adrenocortical hypersecretion. More specifically, the present invention relates to chemical substances having selective adrenal toxicity for use in medicine, especially for treatment of adrenocortical hypersecretion and tumour growth. For this purpose the present invention provides a compound having the following formula for use in medicine, especially human medicine wherein the first phenyl ring comprises one or more substituents R1 which is halogen (F , CI, Br or 1), preferably in position 4; R2 and R3 are halogen,A is a single or double bond between the side chain carbon atoms; the second phenyl ring comprises an electrophilic group R4 , preferably in position 3, which is SO2R5 or its metabolic precursors S R5 and SOR5, NO2 or CF3 .where R5 is H or a lower alkyl, especially CH3 ; and one or more substituents R6 which is halogen (F , Cl, Br or I), preferably in position 4.