ethyl 2-[8-(methylsulfanyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetate | 367958-15-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: ethyl 2-[8-(methylsulfanyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetate
• 英文别名: ethyl 2-(8-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate
• CAS: 367958-15-4
• 化学式: C₁₇H₂₁NO₂S
• 分子量: 303.425
• InChiKey: FJHPCCXUQWTUAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  67.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 2-[8-(methylsulfanyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetate 在 盐酸 、 LiOH 作用下， 以 四氢呋喃 、 甲醇 、 乙酸乙酯 为溶剂， 生成 2-[8-(methylsulfanyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetic acid
  参考文献：
  名称：

  Method and compositions for the treatment of allergic conditions using PGD2 receptor antagonists

  摘要：

  前列腺素D2受体拮抗剂结合抗组胺剂和/或白三烯拮抗剂在治疗过敏症状方面是有效的。

  公开号：

  US20010051624A1
• 作为产物：
  描述：

  2-环己酮乙酸乙酯 、 1-[2-(methylsulfanyl)phenyl]hydrazine 在 溶剂黄146 作用下， 生成 ethyl 2-[8-(methylsulfanyl)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetate
  参考文献：
  名称：

  Identification of an indole series of prostaglandin D2 receptor antagonists

  摘要：

  A novel indole series of PGD(2) receptor (DP receptor) antagonists is presented. Optimization of this series led to the identification of potent and selective DP receptor antagonists. In particular, antagonists 35 and 36 were identified with K-i values of 2.6 and 1.8 nM, respectively. These two antagonists are also potent in a DIP functional assay where they inhibit the PGD(2) induced cAMP production in platelet rich plasma with IC50 values of 7.9 and 8.6 W, respectively. The structure-activity relationships of this indole series of DP receptor antagonists will also be discussed. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.02.062

文献信息

• Prostaglandin D2 receptor antagonists
  申请人：——

  公开号：US20010047027A1

  公开（公告）日：2001-11-29

  Certain tetrahydrocarbazole-1-acetic acid derivatives are potent and selective antagonists of the prostaglandin D2 receptor, and are therefore useful in the treatment of allergic conditions such as allergic rhinitis.

  某些四氢吲哚-1-乙酸衍生物是前列腺素D2受体的强效和选择性拮抗剂，因此在治疗过敏性疾病如过敏性鼻炎方面非常有用。
• Method and compositions for the treatment of allergic conditions using pgd2 receptor antagonists
  申请人：——

  公开号：US20030055077A1

  公开（公告）日：2003-03-20

  Prostaglandin D2 receptor antagonists in conjunction with an antihistamine and/or a leukotriene antagonist are useful in the treatment of allergic conditions.

  前列腺素 D2 受体拮抗剂与抗组胺剂和/或白三烯拮抗剂合用，可用于治疗过敏性疾病。
• METHOD AND COMPOSITIONS FOR THE TREATMENT OF ALLERGIC CONDITIONS USING PGD2 RECEPTOR ANTAGONISTS
  申请人：Merck Frosst Canada & Co.

  公开号：EP1274457B1

  公开（公告）日：2005-11-30
• [EN] PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS<br/>[FR] ANTAGONISTES DU RECEPTEUR DE PROSTAGLANDINE D2
  申请人：MERCK FROSST CANADA INC

  公开号：WO2001079169A2

  公开（公告）日：2001-10-25

  Certain tetrahydrocarbazole-1-acetic acid derivatives are potent and selective antagonists of the prostaglandin D2 receptor, and are therefore useful in the treatment of allergic conditions such as allergic rhinitis.
• [EN] METHOD AND COMPOSITIONS FOR THE TREATMENT OF ALLERGIC CONDITIONS USING PGD2 RECEPTOR ANTAGONISTS<br/>[FR] PROCEDE ET COMPOSITIONS DESTINES AU TRAITEMENT D'ETATS ALLERGIQUES FAISANT APPEL A DES ANTAGONISTES DU RECEPTEUR PGD2
  申请人：MERCK FROSST CANADA INC

  公开号：WO2001078697A2

  公开（公告）日：2001-10-25

  Prostaglandin D2 receptor antagonists in conjunction with an antihistamine and/or a leukotriene antagonist are useful in the treatment of allergic conditions.