(+/-)-5-[2-chloro-4-(3-trifluoromethylphenylthio)phenyl]-2-ethoxycarbonyl-2-methylpentanoic acid | 1006727-21-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: (+/-)-5-[2-chloro-4-(3-trifluoromethylphenylthio)phenyl]-2-ethoxycarbonyl-2-methylpentanoic acid
• 英文别名: ethyl hydrogen 2-{3-[2-chloro-4-(3-trifluoromethylphenylthio)phenyl]propyl}-2-methyl-propane dioate；5-[2-chloro-4-[3-(trifluoromethyl)phenyl]sulfanylphenyl]-2-ethoxycarbonyl-2-methylpentanoic acid
• CAS: 1006727-21-4
• 化学式: C₂₂H₂₂ClF₃O₄S
• 分子量: 474.928
• InChiKey: RLEHPCDDSOHOIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  88.9
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (+/-)-5-[2-chloro-4-(3-trifluoromethylphenylthio)phenyl]-2-ethoxycarbonyl-2-methylpentanoic acid 在 叠氮磷酸二苯酯 、 三乙胺 作用下， 以 甲苯 为溶剂， 反应 4.05h， 生成 ethyl 5-[2-chloro-4-(3-trifluoromethylphenylthio)phenyl]-2-ethoxycarbonylamino-2-methyl pentanoate
  参考文献：
  名称：

  EP2292594

  摘要：

  公开号：
• 作为产物：
  描述：

  t-butyl ethyl 2-{3-[2-chloro-4-(3-trifluoromethylphenylthio)phenyl]propyl}-2-methyl-propane dioate 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 (+/-)-5-[2-chloro-4-(3-trifluoromethylphenylthio)phenyl]-2-ethoxycarbonyl-2-methylpentanoic acid
  参考文献：
  名称：

  EP2292594

  摘要：

  公开号：

文献信息

• THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR INFLAMMATORY BOWEL DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT
  申请人：Yamamuro Naoya

  公开号：US20100324057A1

  公开（公告）日：2010-12-23

  A novel therapeutic agent or prophylactic agent for an inflammatory bowel disease is provided. An amino alcohol derivative represented by the general formula (1): which is a sphingosine-1-phosphate receptor agonist or a pharmaceutically acceptable salt or hydrate thereof are a therapeutic agent or prophylactic agent for an inflammatory bowel disease comprises.

  提供了一种针对炎症性肠病的新型治疗剂或预防剂。一种由通式(1)表示的氨基醇衍生物，该衍生物是一种神经酰胺-1-磷酸酯受体激动剂或其药用接受的盐或水合物，是治疗剂或预防剂，用于炎症性肠病。
• THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR DEMYELINATING DISEASE COMPRISING AMINO ALCOHOL DERIVATIVE AS ACTIVE INGREDIENT
  申请人：Kuriyama Kazuhiko

  公开号：US20100093745A1

  公开（公告）日：2010-04-15

  A novel therapeutic agent or prophylactic agent for a demyelinating disease is provided. An amino alcohol derivative represented by the general formula (1), which is a sphingosine-1-phosphate receptor agonist, a pharmacologically acceptable salt or hydrates thereof, are a therapeutic agent or prophylactic agent for a demyelinating disease.

  提供了一种新型治疗剂或预防剂，用于脱髓鞘疾病。一种由一般式（1）表示的氨基醇衍生物，它是一种鞘氨醇-1-磷酸受体激动剂，以及其药理学上可接受的盐或水合物，是脱髓鞘疾病的治疗剂或预防剂。
• AMINO PHOSPHATE DERIVATIVE AND S1P RECEPTOR MODULATOR HAVING SAME AS AN ACTIVE INGREDIENT
  申请人：Kohno Yasushi

  公开号：US20090325907A1

  公开（公告）日：2009-12-31

  To provide an amino phosphate derivative having an excellent sphingosine-1-phosphate (S1P) receptor modulatory action. As a result of continued intensive research to create a highly safe compound which has an S1P receptor modulatory action, is has been discovered that an amino phosphate derivative represented by the following general formula (1), has a strong S1P receptor modulatory action.

  提供一种具有优异的鞘氨醇-1-磷酸受体调节作用的氨基磷酸酯衍生物。通过持续的深入研究，以创造具有S1P受体调节作用的高度安全的化合物为目标，发现下述通式（1）所表示的氨基磷酸酯衍生物具有强烈的S1P受体调节作用。
• AMINO ALCOHOL DERIVATIVE AND IMMUNOSUPPRESIVE AGENT HAVING SAME AS AN ACTIVE INGREDIENT
  申请人：Kohno Yasushi

  公开号：US20100010000A1

  公开（公告）日：2010-01-14

  An amino alcohol derivative useful as an excellent immunosuppressive agent is provided. As a result of intensive research to create a highly safe compound which has an excellent immunosuppressive activity, it was discovered that an amino alcohol derivative represented by the general formula (1), has excellent immunosuppressive activity.

  提供了一种氨基醇衍生物，可作为优异的免疫抑制剂。通过进行深入研究以创建一种高度安全且具有优异免疫抑制活性的化合物，发现由通式（1）表示的氨基醇衍生物具有优异的免疫抑制活性。
• Amino alcohol derivative and immunosuppresive agent having same as an active ingredient
  申请人：Kyorin Pharmaceutical Co., Ltd.

  公开号：US08273748B2

  公开（公告）日：2012-09-25

  An amino alcohol derivative useful as an excellent immunosuppressive agent is provided. As a result of intensive research to create a highly safe compound which has an excellent immunosuppressive activity, it was discovered that an amino alcohol derivative represented by the general formula (1), has excellent immunosuppressive activity.

  提供一种氨基醇衍生物，可用作优秀的免疫抑制剂。通过进行大量研究，以创建一种高度安全的化合物，该化合物具有优异的免疫抑制活性，发现由通式（1）表示的氨基醇衍生物具有优异的免疫抑制活性。