2-(4-chlorophenyl)-5-{3-methoxy-4-[1-(tetrahydropyran-4-yl)azetidin-3-yloxy]phenyl}-5H-thiazolo[5,4-c]pyridin-4-one hydrochloride | 1035218-97-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-chlorophenyl)-5-{3-methoxy-4-[1-(tetrahydropyran-4-yl)azetidin-3-yloxy]phenyl}-5H-thiazolo[5,4-c]pyridin-4-one hydrochloride
• 英文别名: 2-(4-Chloro-phenyl)-5-{3-methoxy-4-[1-(tetrahydro-pyran-4-yl)-azetidin-3-yloxy]-phenyl}-5H-thiazolo[5,4-c]pyridin-4-one, hydrochloride salt；2-(4-chlorophenyl)-5-[3-methoxy-4-[1-(oxan-4-yl)azetidin-3-yl]oxyphenyl]-[1,3]thiazolo[5,4-c]pyridin-4-one;hydrochloride
• CAS: 1035218-97-3
• 化学式: C₂₇H₂₆ClN₃O₄S*ClH
• 分子量: 560.501
• InChiKey: MTMRPGKZZAKPMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.44
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  92.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  四氢吡喃酮 、 5-[4-(azetidin-3-yloxy)-3-methoxyphenyl]-2-(4-chlorophenyl)-5H-thiazolo[5,4-c]pyridin-4-one 在 溶剂黄146 、 sodium cyanoborohydride 、 盐酸 作用下， 以 甲醇 、 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 6.17h， 以83%的产率得到2-(4-chlorophenyl)-5-{3-methoxy-4-[1-(tetrahydropyran-4-yl)azetidin-3-yloxy]phenyl}-5H-thiazolo[5,4-c]pyridin-4-one hydrochloride
  参考文献：
  名称：

  WO2008/76562

  摘要：

  公开号：

文献信息

• 5- [4-(AZETIDIN-3-YLOXY)-PHENYL]-2-PHENYL-5H-THIAZOLO[5,4-C] PYRIDIN-4-ONE DERIVATIVES AND THEIR USE AS MCH RECEPTOR ANTAGONISTS
  申请人：Gardinier Kevin Matthew

  公开号：US20100069352A1

  公开（公告）日：2010-03-18

  The present invention relates to a melanin concentrating hormone antagonist compound of formula I: wherein “ - - - ” is absent or is optionally a bond; q is 1 or 2; R 1 is independently selected from hydrogen, —C 1 -C 2 alkyl, halo, hydroxy, —C 1 -C 2 haloalkyl, —C 1 -C 3 alkoxy, cyano, —O—C 3 -C 4 cycloalkyl, and —OC 1 -C 2 haloalkyl; R 2 is selected from the group consisting of hydrogen, —C 1 -C 3 alkyl, hydroxy, —C 1 -C 3 alkoxy, cyano, —C 1 -C 2 haloalkyl, —OC 1 -C 2 haloalkyl, and halo; R 3 is selected from the group consisting of hydrogen, —C 1 -C 4 alkyl, —C 2 -C 4 haloalkyl, —C 2 -C 4 alkylOH, —C 3 -C 6 cycloalkyl, —CH 2 C 3 -C 6 cycloalkyl, —C 2 -C 4 alkyl-O—C 1 -C 4 alkyl, —C(O)C 1 -C 4 alkyl, —C(O)C 1 -C 4 haloalkyl, —CH 2 -thiazole, phenyl, benzyl, tetrahydrothiopyranyl, and tetrahydropyranyl, wherein the cycloalkyl, tetrahydrothiopyranyl, tetrahydropyranyl and thiazolyl group is optionally substituted with one or two groups independently selected from the group consisting of halo, hydroxy, C 1 -C 2 alkyl, and —C 1 -C 2 haloalkyl; or a pharmaceutically acceptable salt, enantiomer, diastereomer or mixture thereof, useful in the treating, preventing or ameliorating of symptoms associated with obesity and related diseases.

  本发明涉及一种公式I的黑色素浓集激素拮抗剂化合物：其中“- - -”不存在或者可选为一根键；q为1或2；R1独立选择自氢、—C1-C2烷基、卤素、羟基、—C1-C2卤代烷基、—C1-C3烷氧基、氰基、—O—C3-C4环烷基和—OC1-C2卤代烷基；R2选择自氢、—C1-C3烷基、羟基、—C1-C3烷氧基、氰基、—C1-C2卤代烷基、—OC1-C2卤代烷基和卤素的群；R3选择自氢、—C1-C4烷基、—C2-C4卤代烷基、—C2-C4烷基羟基、—C3-C6环烷基、— C3-C6环烷基、—C2-C4烷氧基—C1-C4烷基、—C（O）C1-C4烷基、—C（O）C1-C4卤代烷基、—CH2-噻唑基、苯基、苄基、四氢噻吩基和四氢吡喃基，其中环烷基、四氢噻吩基、四氢吡喃基和噻唑基可选地被一到两个独立选择自卤素、羟基、C1-C2烷基和—C1-C2卤代烷基的基团取代；或其药学上可接受的盐、对映异构体、非对映异构体或其混合物，用于治疗、预防或缓解与肥胖和相关疾病相关的症状。
• 5- [4-(azetidin-3-yloxy)-phenyl]-2-phenyl-5H-thiazolo[5,4-C] pyridin-4-one derivatives and their use as MCH receptor antagonists
  申请人：Eli Lilly and Company

  公开号：US08049013B2

  公开（公告）日：2011-11-01

  The present invention relates to a melanin concentrating hormone antagonist compound of formula I: wherein “-----” is absent or is optionally a bond; q is 1 or 2; R1 is independently selected from hydrogen, —C1-C2 alkyl, halo, hydroxy, —C1-C2 haloalkyl, —C1-C3 alkoxy, cyano, —O—C3-C4 cycloalkyl, and —OC1-C2 haloalkyl; R2 is selected from the group consisting of hydrogen, —C1-C3 alkyl, hydroxy, —C1-C3 alkoxy, cyano, —C1-C2 haloalkyl, —OC1-C2 haloalkyl, and halo; R3 is selected from the group consisting of hydrogen, —C1-C4 alkyl, —C2-C4 haloalkyl, —C2-C4 alkylOH, —C3-C6 cycloalkyl, —CH2C3-C6 cycloalkyl, —C2-C4 alkyl-O—C1-C4 alkyl, —C(O)C1-C4 alkyl, —C(O)C1-C4 haloalkyl, —CH2-thiazole, phenyl, benzyl, tetrahydrothiopyranyl, and tetrahydropyranyl, wherein the cycloalkyl, tetrahydrothiopyranyl, tetrahydropyranyl and thiazolyl group is optionally substituted with one or two groups independently selected from the group consisting of halo, hydroxy, C1-C2 alkyl, and —C1-C2 haloalkyl; or a pharmaceutically acceptable salt, enantiomer, diastereomer or mixture thereof, useful in the treating, preventing or ameliorating of symptoms associated with obesity and related diseases.

  本发明涉及一种公式I的黑素浓集素拮抗剂化合物：其中“-----”不存在或可选为键；q为1或2；R1独立选择自氢、—C1-C2烷基、卤素、羟基、—C1-C2卤代烷基、—C1-C3烷氧基、氰基、—O—C3-C4环烷基和—OC1-C2卤代烷基；R2选择自羟基、—C1-C3烷基、—C1-C3烷氧基、氰基、—C1-C2卤代烷基、—OC1-C2卤代烷基和卤素的群；R3选择自氢、—C1-C4烷基、—C2-C4卤代烷基、—C2-C4烷基羟基、—C3-C6环烷基、— C3-C6环烷基、—C2-C4烷氧基—C1-C4烷基、—C(O)C1-C4烷基、—C(O)C1-C4卤代烷基、—CH2-噻唑基、苯基、苄基、四氢噻吩基和四氢吡喃基，其中环烷基、四氢噻吩基、四氢吡喃基和噻唑基可选地用一个或两个从卤素，羟基，C1-C2烷基和—C1-C2卤代烷基中独立选择的基取代；或其药学上可接受的盐、对映异构体、顺反异构体或混合物，用于治疗、预防或缓解与肥胖和相关疾病相关的症状。