1-Chloro-4-{[2-(4-fluorophenyl)ethenesulfonyl]methyl}benzene | 118672-28-9

• 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-Chloro-4-{[2-(4-fluorophenyl)ethenesulfonyl]methyl}benzene
• 英文别名: 1-chloro-4-[2-(4-fluorophenyl)ethenylsulfonylmethyl]benzene
• CAS: 118672-28-9
• 化学式: C₁₅H₁₂ClFO₂S
• 分子量: 310.8
• InChiKey: GMKXPTFOBQFAOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  20
• 可旋转键数：
  4
• 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：
  3

文献信息

• (E)-4-carboxystyrl-4-chlorobenzyl sulfone and pharmaceutical compositions thereof
  申请人：——

  公开号：US20030149109A1

  公开（公告）日：2003-08-07

  Pre-treatment with &agr;,&bgr; unsaturated aryl sulfones protects normal cells from the cytotoxic side effects of two classes of anticancer chemotherapeutics. Administration of a cytoprotective sulfone compound to a patient prior to anticancer chemotherapy with a mitotic phase cell cycle inhibitor or topoisomerase inhibitor reduces or eliminates the cytotoxic side effects of the anticancer agent on normal cells. The cytoprotective effect of the &agr;,&bgr; unsaturated aryl sulfone allows the clinician to safely increasing the dosage of the anticancer chemotherapeutic.

  使用α,β-不饱和芳基磺酮进行预处理可以保护正常细胞免受两类抗癌化疗药物的细胞毒副作用。在患者进行含细胞周期有丝分裂期抑制剂或拓扑异构酶抑制剂的抗癌化疗之前，给予一种细胞保护性磺酮化合物，可以减少或消除抗癌药物对正常细胞的细胞毒副作用。α,β-不饱和芳基磺酮的细胞保护作用使得临床医生可以安全地增加抗癌化疗药物的剂量。
• Styryl sulfone anticancer agents
  申请人：——

  公开号：US20020022666A1

  公开（公告）日：2002-02-21

  Styryl sulfone compounds of the invention selectively inhibit proliferation of tumor cells, and induce apoptosis of tumor cells, while sparing normal cells. The compounds, which are useful in the treatment of cancer and other proliferative disorders, have (a) the formula II: 1 wherein n is zero or one; R 1 is selected from the group consisting of hydrogen, chlorine, fluorine and bromine; R 2 is selected from the group consisting of hydrogen, chlorine, fluorine, bromine, methyl and methoxy; and R 3 is selected from the group consisting of hydrogen, chlorine and fluorine; provided, R 2 may not be methyl or methoxy when R 1 and R 3 are both hydrogen and n is zero or one; and R 1 , R 2 and R 3 may not all be hydrogen when n is one; (b) the formula III: 2 wherein R 1 is selected from the group consisting of hydrogen, chlorine, fluorine and bromine; or (c) or the formula IV: 3 wherein R 1 is selected from the group consisting of fluorine and bromine, and R 2 is selected from the group consisting of 2-chlorophenyl, 4-chlorophenyl, 4-fluorophenyl and 2-nitrophenyl.

  本发明的苯乙烯基磺酰化合物选择性地抑制肿瘤细胞的增殖，并诱导肿瘤细胞凋亡，同时不损害正常细胞。这些化合物在治疗癌症和其他增殖性疾病中很有用，具有以下特征： (a) 公式II： 1 其中 n 是零或一； R 1 选自氢、氯、氟和溴的组； R 2 选自氢、氯、氟、溴、甲基和甲氧基的组；和 R 3 选自氢、氯和氟的组；前提是， 当 R 1 和 R 3 都是氢且 n 是零或一时，R 2 不能是甲基或甲氧基；且 当 n 是一时，R 1 、R 2 和 R 3 不能都是氢； (b) 公式III： 2 其中 R 1 选自氢、氯、氟和溴的组；或 (c) 公式IV： 3 其中 R 1 选自氟和溴的组，R 2 选自2-氯苯基、4-氯苯基、4-氟苯基和2-硝基苯基的组。
• (E)-styryl sulfone anticancer agents
  申请人：Temple University - Of The Commonwealth System of Higher Education

  公开号：US20030216535A1

  公开（公告）日：2003-11-20

  (E)-styryl benzylsulfones of formula I are useful as anticancer agents: 1 wherein R 1 , R 2 , R 3 , and R 4 are independently selected from the group consisting of hydrogen, fluoro, chloro, iodo, bromo, C1-C6 alkyl, C1-C4 alkoxy, nitro, cyano and trifluoromethyl, with the proviso that (a) R 1 , R 2 , and R 3 not all hydrogen when R 4 is 2-chloro or 4-chloro; (b) when R 1 and R 3 are hydrogen and R 2 is 4-bromo or 4-chloro, then R 4 may not be 4-chloro, 4-fluoro or 4-bromo; (c) when R 1 and R 3 are hydrogen and R 2 is 4-fluoro, then R 4 may not be 4-fluoro or 4-bromo, (d) when R 1 is hydrogen, and R 4 is 2-fluoro, the R 2 and R 3 may not be 4-fluoro; and (e) when R 1 is hydrogen and R 3 is 4-hydrogen, 4-chloro, 4-bromo, 4-methyl or 4-methoxy, and R 4 is 2-hydrogen, 2-chloro, or 2-fluoro; then R 2 may not be 4-hydrogen, 4-chloro, 4-fluoro, or 4-bromo.

  公式I中的(E)-styryl benzylsulfones可用作抗癌剂： 其中，R1、R2、R3和R4独立地选择自氢、氟、氯、碘、溴、C1-C6烷基、C1-C4烷氧基、硝基、氰基和三氟甲基的群组，但有以下规定： (a) 当R4为2-氯或4-氯时，R1、R2和R3不能全部为氢。 (b) 当R1和R3为氢，R2为4-溴或4-氯时，R4不能为4-氯、4-氟或4-溴。 (c) 当R1和R3为氢，R2为4-氟时，R4不能为4-氟或4-溴。 (d) 当R1为氢，R4为2-氟时，R2和R3不能为4-氟。 (e) 当R1为氢，R3为4-氢、4-氯、4-溴、4-甲基或4-甲氧基，R4为2-氢、2-氯或2-氟时，R2不能为4-氢、4-氯、4-氟或4-溴。
• Method for protecting normal cells from cytotoxicity of chemotherapeutic agents
  申请人：——

  公开号：US20040214903A1

  公开（公告）日：2004-10-28

  Pre-treatment with &agr;,&bgr; unsaturated aryl sulfones protects normal cells from the cytotoxic side effects of two classes of anticancer chemotherapeutics. Administration of a cytoprotective sulfone compound to a patient prior to anticancer chemotherapy with a mitotic phase cell cycle inhibitor or topoisomerase inhibitor reduces or eliminates the cytotoxic side effects of the anticancer agent on normal cells. The cytoprotective effect of the &agr;,&bgr; unsaturated aryl sulfone allows the clinician to safely increasing the dosage of the anticancer chemotherapeutic.

  预处理使用α，β不饱和芳基磺酮可以保护正常细胞免受两类抗癌化疗药物的细胞毒副作用。在使用有丝分裂期细胞周期抑制剂或拓扑异构酶抑制剂的抗癌化疗前向患者给予细胞保护性磺酮化合物，可以减少或消除抗癌药物对正常细胞的细胞毒副作用。α，β不饱和芳基磺酮的细胞保护作用使临床医生可以安全地增加抗癌化疗药物的剂量。
• Method for protecting cells and tissues from ionizing radiation toxicity with alpha, beta unsaturated aryl sulfones
  申请人：——

  公开号：US20030060505A1

  公开（公告）日：2003-03-27

  Pre-treatment with &agr;,&bgr; unsaturated aryl sulfones protects normal cells from the toxic side effects of ionizing radiation. Administration of a radioprotective &agr;,&bgr; unsaturated aryl sulfone compound to a patient prior to anticancer radiotherapy reduces the cytotoxic side effects of the radiation on normal cells. The radioprotective effect of the &agr;,&bgr; unsaturated aryl sulfone allows the clinician to safely increase the dosage of anticancer radiation. In some instances, amelioration of toxicity following inadvertent radiation exposure may be mitigated with administration of &agr;,&bgr; unsaturated arylsulfone.

  预处理使用α，β不饱和芳基磺酮可以保护正常细胞免受电离辐射的毒副作用。在抗癌放疗之前向患者给予放射性保护α，β不饱和芳基磺酮化合物可以减少辐射对正常细胞的细胞毒性副作用。α，β不饱和芳基磺酮的辐射保护效果可以让临床医生安全地增加抗癌放射剂量。在某些情况下，无意中接触辐射后毒性的缓解可以通过给予α，β不饱和芳基磺酮来缓解。