ethyl 4-hydroxy-4-[(phenylamino)methyl]cyclohexanecarboxylate | 1044271-29-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: ethyl 4-hydroxy-4-[(phenylamino)methyl]cyclohexanecarboxylate
• 英文别名: ethyl 4-(anilinomethyl)-4-hydroxycyclohexane-1-carboxylate
• CAS: 1044271-29-5
• 化学式: C₁₆H₂₃NO₃
• 分子量: 277.364
• InChiKey: CRWDKYZDOSZGDO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 4-hydroxy-4-[(phenylamino)methyl]cyclohexanecarboxylate 在 对甲苯磺酸 吡啶 、 甲醇 、 sodium hydroxide 、 水 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 甲苯 为溶剂， 反应 20.5h， 生成 (cis)-3-phenyl-8-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
  参考文献：
  名称：

  WO2008/129007

  摘要：

  公开号：
• 作为产物：
  描述：

  对环己酮甲酸乙酯 在 potassium tert-butylate 作用下， 以 二甲基亚砜 、 叔丁醇 为溶剂， 反应 1.0h， 生成 ethyl 4-hydroxy-4-[(phenylamino)methyl]cyclohexanecarboxylate
  参考文献：
  名称：

  WO2008/129007

  摘要：

  公开号：

文献信息

• Chemical Compounds
  申请人：Bentley Jonathan

  公开号：US20090042897A1

  公开（公告）日：2009-02-12

  The present invention relates to novel compounds or a pharmaceutically acceptable salt or solvate thereof, selected from a group consisting of: (trans)-8-([1-(2-fluorophenyl)-1H-pyrazol-3-yl]amino}methyl)-3-(2-fluoro-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one; (trans)-8-([1-(2-fluorophenyl)-1H-pyrazol-3-yl]amino}methyl)-3-(3-pyridazinyl)-1-oxa-3-azaspiro[4.5]decan-2-one; (trans)-8-([1-(2-fluorophenyl)-1H-pyrazol-3-yl]amino}methyl)-3-(1-methyl-1H-pyrazol-3-yl)-1-oxa-3-azaspiro[4.5]decan-2-one; processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as NPY Y5 receptor antagonists and as agents for the treatment and/or prophylaxis of eating disorders such as a binge eating disorder.

  本发明涉及一组新化合物或其药学上可接受的盐或溶剂，所述化合物从以下组中选择：（顺式）-8-（[1-（2-氟苯基）-1H-吡唑-3-基]氨基}甲基）-3-（2-氟-3-吡啶基）-1-氧杂-3-氮杂螺[4.5]癸烷-2-酮；（顺式）-8-（[1-（2-氟苯基）-1H-吡唑-3-基]氨基}甲基）-3-（3-吡嗪基）-1-氧杂-3-氮杂螺[4.5]癸烷-2-酮；（顺式）-8-（[1-（2-氟苯基）-1H-吡唑-3-基]氨基}甲基）-3-（1-甲基-1H-吡唑-3-基）-1-氧杂-3-氮杂螺[4.5]癸烷-2-酮；以及用于它们的制备的中间体，包含它们的药物组合物以及它们作为NPY Y5受体拮抗剂和治疗和/或预防暴食障碍等进食障碍的药物的用途。
• Benzimidazoles With A Hetero Spiro-Decane Residue As NPY-Y5 Antagonists
  申请人：Barton Nicholas Paul

  公开号：US20100216821A1

  公开（公告）日：2010-08-26

  The present invention relates to compounds of formula (I), or a pharmaceutically acceptable salts, solvates, stereoisomers thereof, R 1 may be C 1 -C 4 alkyl, aryl or heteroaryl, which may be substituted by one or more: halogen, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 haloalkyl, C 1 -C 4 haloalkoxy, cyano; R 2 may be halogen, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 haloalkyl, C 1 -C 4 haloalkoxy, cyano, nitro; or aryl, heteroaryl or heterocycle, which may be substituted by one or more: halogen, C 1 -C 4 alkyl, C 1 -C 4 alkoxy, C 1 -C 4 haloalkyl, C 1 -C 4 haloalkoxy, cyano; or R 2 may correspond to —O—R 3 ; R 3 is a 6-membered aromatic carbocyclic ring which may contain 1 or 2 nitrogen X is carbon or oxygen; Z is carbon or nitrogen; G is a fused 6-membered aromatic carbocyclic ring which may contain 1 or 2 nitrogen; m may be 0 or an integer ranging from 1 to 4; processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as NPY-Y5 receptor antagonists.

  本发明涉及式（I）的化合物，或其药学上可接受的盐，溶剂化合物和立体异构体，其中R1可以是C1-C4烷基，芳基或杂芳基，可以被一个或多个卤素，C1-C4烷基，C1-C4烷氧基，C1-C4卤代烷基，C1-C4卤代烷氧基，氰基取代；R2可以是卤素，C1-C4烷基，C1-C4烷氧基，C1-C4卤代烷基，C1-C4卤代烷氧基，氰基，硝基或芳基，杂芳基或杂环，可以被一个或多个卤素，C1-C4烷基，C1-C4烷氧基，C1-C4卤代烷基，C1-C4卤代烷氧基，氰基取代；或者R2可以对应于—O—R3；R3是一个含有1或2个氮原子的6元芳香环；X是碳或氧；Z是碳或氮；G是一个融合的含有1或2个氮原子的6元芳香环；m可以是0或一个范围在1到4之间的整数；本发明还涉及制备这些化合物的方法，用于这些方法的中间体，包含它们的制药组合物以及它们作为NPY-Y5受体拮抗剂在治疗中的应用。
• I-OXA-3-Azaspiro (4.5) Decan-2-One And 1-OXA-3, 8-Diazaspiro (4.5) Decan-2-One Derivatives For The Treatment of Eating Disorders
  申请人：Bentley Jonathan

  公开号：US20100197699A1

  公开（公告）日：2010-08-05

  The present invention relates to novel compounds of formula (I), or a pharmaceutically acceptable salt or solvate thereof, wherein R is an aryl or heteroaryl; which may be substituted by one or more: halogen, C1-C4 alkyl, C1-C4 alkoxy, C1-C4 haloalkyl, C1-C4 haloalkoxy, cyano; W is —CZ 1 or nitrogen; Z 1 is hydrogen, C1-C4 alkyl; A is a 5 membered heteroaryl, pyrazine, pyrimidine, or quinoline or quinazoline which may be substituted by one or more: halogen, C1-C4 alkyl, C1-C4 alkoxy, C1-C4 haloalkyl, C1-C4 haloalkoxy, cyano; B is hydrogen or a 5-10 membered aryl or heteroaryl which may be substituted by one or more: halogen, C1-C4 alkyl, C1-C4 alkoxy, C1-C4 haloalkyl, C1-C4 haloalkoxy, cyano; being A and B linked via any atom; provided that when W is —CZ 1 , compounds of formula (I) have a trans stereochemistry; processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as NPY Y5 receptor antagonists and as agents for the treatment and/or prophylaxis of eating disorders such as a binge eating disorder.

  本发明涉及式（I）的新化合物，或其药学上可接受的盐或溶剂，其中R是芳基或杂环芳基；可以被一个或多个卤素，C1-C4烷基，C1-C4烷氧基，C1-C4卤代烷基，C1-C4卤代烷氧基，氰基取代；W是—CZ1或氮；Z1是氢，C1-C4烷基；A是5元杂环芳基，吡嗪，嘧啶或喹啉或喹嗪，可以被一个或多个卤素，C1-C4烷基，C1-C4烷氧基，C1-C4卤代烷基，C1-C4卤代烷氧基，氰基取代；B是氢或一个5-10元芳基或杂环芳基，可以被一个或多个卤素，C1-C4烷基，C1-C4烷氧基，C1-C4卤代烷基，C1-C4卤代烷氧基，氰基取代；A和B通过任何原子连接；但当W是—CZ1时，式（I）的化合物具有反式立体化学；其制备方法，用于这些方法的中间体，包含它们的药物组合物以及它们作为NPY Y5受体拮抗剂和治疗和/或预防暴食障碍的药物代理的用途。
• 1-OXA-3-Azaspiro[4,5]Decan--2-One Derivatives For The Treatment Of Eating Disorders
  申请人：Bentley Jonathan

  公开号：US20100286151A1

  公开（公告）日：2010-11-11

  The present invention relates to novel compounds of formula (I), or a pharmaceutically acceptable salt or solvate thereof, wherein R is an aryl or heteroaryl; which may be substituted by one or more: halogen, C1-C4 alkyl, C1-C4 alkoxy, C1-C4 haloalkyl, C1-C4 haloalkoxy, cyano; Z 1 is H, C1-C4 alkyl or F; Z is CH 2 , CH(C1-C4 alkyl), C(C1-C4 alkyl) 2 or a bond; A is a 5 membered heteroaryl, which may be substituted by one or more: halogen, C1-C4 alkyl, C1-C4 alkoxy, C1-C4 haloalkyl, Cl C4 haloalkoxy, cyano; B is hydrogen or is a 5-6 membered heteroaryl, or phenyl, which may be substituted by one or more: halogen, C1-C4 alkyl, C1-C4 alkoxy, C1-C4 haloalkyl, C1-C4 haloalkoxy, cyano; being A and B linked via any atom; processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as NPY Y5 receptor antagonists and as agents for the treatment and/or prophylaxis of eating disorders such as a binge eating disorder.

  本发明涉及公式（I）的新化合物，或其药学上可接受的盐或溶剂，其中R是芳基或杂芳基; 可以被一个或多个卤素，C1-C4烷基，C1-C4烷氧基，C1-C4卤代烷基，C1-C4卤代烷氧基，氰基取代; Z1是H，C1-C4烷基或F; Z是CH2，CH（C1-C4烷基），C（C1-C4烷基）2或键; A是5成员杂芳基，可以被一个或多个卤素，C1-C4烷基，C1-C4烷氧基，C1-C4卤代烷基，Cl C4卤代烷氧基，氰基取代; B是氢或是5-6成员杂芳基或苯基，可以被一个或多个卤素，C1-C4烷基，C1-C4烷氧基，C1-C4卤代烷基，C1-C4卤代烷氧基，氰基取代; A和B通过任何原子连接; 用于制备它们的过程，用于这些过程中使用的中间体，包含它们的制药组合物以及它们作为NPY Y5受体拮抗剂和作为治疗和/或预防进食障碍（如暴饮暴食障碍）的药物的用途。
• WO2008/92887
  申请人：——

  公开号：——

  公开（公告）日：——