1-chloro-6-{[(2S)-3-(4-chlorophenyl)-2-methylpropyl]oxy}-3,4-dihydro-2-naphthalenecarbaldehyde | 872710-05-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-chloro-6-{[(2S)-3-(4-chlorophenyl)-2-methylpropyl]oxy}-3,4-dihydro-2-naphthalenecarbaldehyde
• 英文别名: 1-chloro-6-[(2S)-3-(4-chlorophenyl)-2-methylpropoxy]-3,4-dihydronaphthalene-2-carbaldehyde
• CAS: 872710-05-9
• 化学式: C₂₁H₂₀Cl₂O₂
• 分子量: 375.295
• InChiKey: FCWNGOWVKCKWSV-AWEZNQCLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Compound Having S1P Receptor Binding Potency and Use Thereof
  申请人：Habashita Hiromu

  公开号：US20080207584A1

  公开（公告）日：2008-08-28

  Provided are: a compound represented by formula (I): (wherein ring A and ring D each represent a cyclic group which may have a substituent(s); E and G each represent a bond or a spacer having 1 to 8 atoms in its main chain; L represents a hydrogen atom or a substituent; X represents amino which may have a substituent(s), or a heterocyclic group which contains at least one nitrogen atom and which may have a substituent(s); n represents 0 to 3, in which when n is 2 or more, a plurality of ring A's may be the same or different from one another); a salt thereof; an N-oxide form thereof; a solvate thereof, a prodrug thereof; and a medicament which includes those. The compound represented by formula (I) is capable of binding S1P receptors (in particular, EDG-1 and/or EDG-6), and useful for preventing and/or treating rejection in transplantation, autoimmune diseases, allergic diseases, etc.

  提供的是一个由式(I)表示的化合物：其中，环A和环D分别表示可以具有取代基的环状基团；E和G分别表示具有1至8个原子的主链上的键或间隔物；L表示氢原子或取代基；X表示可以具有取代基的氨基或含有至少一个氮原子且可以具有取代基的杂环基团；n表示0至3，在其中当n为2或更多时，多个环A可以相同或不同。还提供了该化合物的盐、N-氧化物形式、溶剂化物、前药和包括其的药物。该化合物能够结合S1P受体（特别是EDG-1和/或EDG-6），并用于预防和/或治疗移植排斥、自身免疫性疾病、过敏性疾病等。
• COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF
  申请人：ONO PHARMACEUTICAL CO., LTD.

  公开号：EP1760071A1

  公开（公告）日：2007-03-07

  Provided are: a compound represented by formula (I): (wherein ring A and ring D each represent a cyclic group which may have a substituent(s); E and G each represent a bond or a spacer having 1 to 8 atoms in its main chain; L represents a hydrogen atom or a substituent; X represents amino which may have a substituent(s), or a heterocylcic group which contains at least one nitrogen atom and which may have a substituent(s); n represents 0 to 3, in which when n is 2 or more, a plurality of ring A's may be the same or different from one another); a salt thereof; an N-oxide form thereof; a solvate thereof; a prodrug thereof; and a medicament which includes those. The compound represented by formula (I) is capable of binding S1P receptors (in particular, EDG-1 and/or EDG-6), and useful for preventing and/or treating rejection in transplantation, autoimmune diseases, allergic diseases, etc.

  提供了：由式 (I) 代表的化合物： (其中环 A 和环 D 各代表一个环状基团，该基团可具有一个或多个取代基；E 和 G 各代表一个键或在其主链上具有 1 至 8 个原子的间隔物；L 代表氢原子或取代基；X 代表可具有一个或多个取代基的氨基，或代表至少含有一个氮原子且可具有一个或多个取代基的杂环基团；n代表0至3，其中当n为2或更多时，多个环A可以彼此相同或不同）；其盐；其N-氧化物形式；其溶液；其原药；以及包括这些的药物。式（I）代表的化合物能够结合 S1P 受体（特别是 EDG-1 和/或 EDG-6），可用于预防和/或治疗移植中的排斥反应、自身免疫性疾病、过敏性疾病等。
• US8039674B2
  申请人：——

  公开号：US8039674B2

  公开（公告）日：2011-10-18