4-methanesulfonylcyclohex-1-en-1-yl trifluoromethanesulfonate | 862129-73-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 4-methanesulfonylcyclohex-1-en-1-yl trifluoromethanesulfonate
• 英文别名: 4-methylsulfonylcyclohex-1-ene-1-yl trifluoromethanesulfonate；(+/-)-trifluoro-methanesulfonic acid 4-methanesulfonyl-cyclohex-1-enyl ester；(+/-)-Trifluoro-methanesulfonic acid 4-methanesulfonyl-cyclohex-1-enyl ester；(4-methylsulfonylcyclohexen-1-yl) trifluoromethanesulfonate
• CAS: 862129-73-5
• 化学式: C₈H₁₁F₃O₅S₂
• 分子量: 308.3
• InChiKey: JXYRYNVITOGWLN-UHFFFAOYSA-N

物化性质

• 沸点：
  428.4±45.0 °C(Predicted)
• 密度：
  1.55±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  94.3
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-methanesulfonylcyclohex-1-en-1-yl trifluoromethanesulfonate 在 palladium diacetate 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride potassium acetate 、 三溴化硼 、 cesium fluoride 、 异丁烯 、 三环己基膦 作用下， 以 二氯甲烷 为溶剂， 生成 (+/-)-6-(4-methanesulfonyl-cyclohex-1-enyl)-5-[4-(2-piperidin-1-yl-ethoxy)-phenoxy]-naphthalen-2-ol
  参考文献：
  名称：

  Structure–activity relationships of SERMs optimized for uterine antagonism and ovarian safety

  摘要：

  Structure-activity relationship studies are described, which led to the discovery of novel selective estrogen receptor modulators (SERMs) for the potential treatment of uterine fibroids. The SAR studies focused on limiting brain exposure and were guided by computational properties. Compounds with limited impact on the HPO axis were selected using serum estrogen levels as a biomarker for ovarian stimulation. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.044
• 作为产物：
  描述：

  C₁₀H₂₀SO₃Si 在 2,6-二叔丁基-4-甲基吡啶 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成 4-methanesulfonylcyclohex-1-en-1-yl trifluoromethanesulfonate
  参考文献：
  名称：

  Structure–activity relationships of SERMs optimized for uterine antagonism and ovarian safety

  摘要：

  Structure-activity relationship studies are described, which led to the discovery of novel selective estrogen receptor modulators (SERMs) for the potential treatment of uterine fibroids. The SAR studies focused on limiting brain exposure and were guided by computational properties. Compounds with limited impact on the HPO axis were selected using serum estrogen levels as a biomarker for ovarian stimulation. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.044

文献信息

• [EN] SELECTIVE ESTROGEN RECEPTOR MODULATORS<br/>[FR] MODULATEURS SELECTIFS DU RECEPTEUR DES OESTROGENES
  申请人：LILLY CO ELI

  公开号：WO2005073206A1

  公开（公告）日：2005-08-11

  The present invention relates to a selective estrogen receptor modulator of formula I: or a pharmaceutical acid addition salt thereof; useful, e.g., for treating endometriosis and uterine leiomyoma.

  本发明涉及式I的选择性雌激素受体调节剂：或其药物酸加成盐；例如，用于治疗子宫内膜异位症和子宫肌瘤。
• Selective estrogen receptor modulators
  申请人：Dodge Alan Jeffrey

  公开号：US20070066595A1

  公开（公告）日：2007-03-22

  The present invention relates to a selective estrogen receptor modulator of formula I: or a pharmaceutical acid addition salt thereof; useful, e.g., for treating endometriosis and uterine leiomyoma.

  本发明涉及一种I式的选择性雌激素受体调节剂或其药物酸盐，可用于治疗子宫内膜异位症和子宫平滑肌瘤等疾病。
• EP300/CBP MODULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF
  申请人：Miracure Biotechnology Limited

  公开号：US20240109868A1

  公开（公告）日：2024-04-04

  The present disclosure relates to an EP300/CBP modulator represented by formula I, a preparation method therefor and use thereof. The structure of formula I is shown below:
• Structure–activity relationships of SERMs optimized for uterine antagonism and ovarian safety
  作者：Timothy I. Richardson、Scott A. Frank、Minmin Wang、Christian A. Clarke、Scott A. Jones、Bai-Ping Ying、Dan T. Kohlman、Owen B. Wallace、Timothy A. Shepherd、Robert D. Dally、Alan D. Palkowitz、Andrew G. Geiser、Henry U. Bryant、Judith W. Henck、Ilene R. Cohen、Daniel G. Rudmann、Denis J. McCann、David E. Coutant、Samuel W. Oldham、Conrad W. Hummel、Kin C. Fong、Ronald Hinklin、George Lewis、Hongqi Tian、Jeffrey A. Dodge

  DOI：10.1016/j.bmcl.2007.04.044

  日期：2007.7

  Structure-activity relationship studies are described, which led to the discovery of novel selective estrogen receptor modulators (SERMs) for the potential treatment of uterine fibroids. The SAR studies focused on limiting brain exposure and were guided by computational properties. Compounds with limited impact on the HPO axis were selected using serum estrogen levels as a biomarker for ovarian stimulation. (c) 2007 Elsevier Ltd. All rights reserved.