5'-(1,3-benzothiazol-2-ylsulfonyl)-1'-(cyclopropylmethyl)spiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one | 1239674-66-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 5'-(1,3-benzothiazol-2-ylsulfonyl)-1'-(cyclopropylmethyl)spiro[1,3-dioxane-2,3'-indol]-2'(1'H)-one
• 英文别名: 5'-(1,3-Benzothiazol-2-ylsulfonyl)-1'-(cyclopropylmethyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
• CAS: 1239674-66-8
• 化学式: C₂₂H₂₀N₂O₅S₂
• 分子量: 456.543
• InChiKey: CZSLWYUXGFMIPU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  122
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• [EN] SUBSTITUTED OXINDOLE CB2 AGONISTS<br/>[FR] AGONISTES DE CB2 DE TYPE OXINDOLE SUBSTITUÉ
  申请人：WYETH LLC

  公开号：WO2010090680A1

  公开（公告）日：2010-08-12

  Provided are substituted compounds, or pharmaceutically acceptable salts thereof, wherein: R1 is selected from -(CH2)nRa, -CH(OH)Ra, -CH(ORb)Ra, and -C(O)Ra, or is selected from ORa, SRa, SORa, SO2Ra and NRaRb; R2 and R3 are independently selected from H, halogen, OH, ORa, OWRa, C1-6 alkyl, and WC 1-6 alkyl, wherein C1-6 alkyl or ORa, is optionally substituted with 1, 2, or 3 substitutents independently selected from halogen, CN, OH, ORa, C1-6 alkyl, C1-6 haloalkyl, C3-8cycloalkyl, C6-10 aryl and C4-10 heteroaryl; or R2 and R3, together with the carbon atom to which they are attached, join to form a ring selected from 3-8 membered cycloalkyl, 3-8 membered heterocycloalkyl, C5-C7 oxycycloalkyl, C5.7 dioxycycloalkyl and oxazolidinyl ring, each ring optionally substituted with 1, 2, or 3 substituents independently selected from halogen, CN, OH, 0Ra, C1-6alkyl, C1-6 haloalkyl, C3-8 cycloalkyl, C6-10aryl and C4-10 heteroaryl; R4 is independently selected from H.C1-6 alkyl, C2-6 alkenyl, C2-6alkynyl, C6-10 aryl, C4-10 heteroaryl, -(CH2)n-benzodioxane, -(CH2)n- oxazolidinone and -(CH2)n-C1-6 haloalkyl, each of which is optionally substituted with 1, 2, or 3 substitutents independently selected from halogen, CN, OH, ORa, C1-6 alkyl, C1-6 haloalkyl, C3.8 cycloalkyl, WC3.8 cycloalkyl, C6-10 aryl and C4.10 heteroaryl; which are agonists of the CB2 receptor, pharmaceutical compositions containing the same, and methods of treatment related to CB2-mediated disorders (eg., pain, cancer etc.) using the substituted oxindole compounds and compositions described herein.

  提供的是替代化合物，或其药用盐，其中：R1从-(CH2)nRa，-CH(OH)Ra，-CH(ORb)Ra和-C(O)Ra中选择，或从ORa，SRa，SORa，SO2Ra和NRaRb中选择；R2和R3独立选择自H，卤素，OH，ORa，OWRa，C1-6烷基和WC 1-6烷基，其中C1-6烷基或ORa，可选地取代为1、2或3个取代基，独立选择自卤素，CN，OH，ORa，C1-6烷基，C1-6卤代烷基，C3-8环烷基，C6-10芳基和C4-10杂环芳基；或R2和R3，与它们连接的碳原子一起，结合形成选择自3-8环烷基，3-8杂环烷基，C5-C7氧杂环烷基，C5.7二氧杂环烷基和噁唑烷基的环，每个环可选地取代为1、2或3个取代基，独立选择自卤素，CN，OH，0Ra，C1-6烷基，C1-6卤代烷基，C3-8环烷基，C6-10芳基和C4-10杂环芳基；R4独立选择自H.C1-6烷基，C2-6烯基，C2-6炔基，C6-10芳基，C4-10杂环芳基，-( )n-苯二氧杂环己，-( )n-噁唑烷酮和-( )n-C1-6卤代烷基，每种都可选地取代为1、2或3个取代基，独立选择自卤素，CN，OH，ORa，C1-6烷基，C1-6卤代烷基，C3.8环烷基，WC3.8环烷基，C6-10芳基和C4.10杂环芳基；这些化合物是CB2受体的激动剂，包含它们的药物组合物，以及使用所述的替代氧吲哚化合物和组合物治疗与CB2介导的疾病（例如疼痛、癌症等）相关的方法。