tert-butyl 3-((3-fluorophenoxy)methyl)piperidine-1-carboxylate | 1380752-94-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: tert-butyl 3-((3-fluorophenoxy)methyl)piperidine-1-carboxylate
• 英文别名: tert-butyl 3-[(3-fluorophenoxy)methyl]piperidine-1-carboxylate
• CAS: 1380752-94-2
• 化学式: C₁₇H₂₄FNO₃
• 分子量: 309.381
• InChiKey: YVOUVVNWPIXFFF-UHFFFAOYSA-N

物化性质

• 沸点：
  384.2±12.0 °C(Predicted)
• 密度：
  1.111±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-((3-fluorophenoxy)methyl)piperidine-1-carboxylate 、 methyl 4-(1-(2,5-dichloronicotinamido)cyclopropyl)benzoate 生成 methyl 4-(1-(5-chloro-2-(3-((3-fluorophenoxy)methyl)piperidin-1-yl)nicotinamido)cyclopropyl)benzoate
  参考文献：
  名称：

  PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS

  摘要：

  本发明涉及式（I）的吡啶酰胺衍生物或其药学上可接受的盐，其中R1和R2独立地是氢、线性或支链（C1-C3）烷基或共同形成环丙基环；R独立地选自卤素和三氟甲基的群体，p为1、2或3；A为C或N；E为式（B）或（C）的基团，其中B为C(O)OH、C(O)O(C1-C3)烷基，C选自式（I），m为1、2或3，n为0或1，W为—O—、—O(C1-C3烷基)-、—(C1-C3烷基)O—、—C(O)—、—C(═N—O(C1-C3烷基))-、—NH—或—NH(C1-C3烷基)-；Ar为苯基，可选地取代一个或多个取代基，所述取代基选自卤素、三氟甲基、三氟甲氧基、甲基、—NH(C1-C3烷基)-、—N(C1-C3烷基)(C1-C3烷基)-、含有一个氮原子的从5到7个成员的杂环环，该氮原子与Ar成共价键，并可选地含有一个或两个选自N、O和S的杂原子；以及含有1至3个选自S、O和N的杂环芳香环，该杂环芳香环被一种或两种取代基所取代，所述取代基选自（C1-C3）烷基、（C3-C5）环烷氧基、（C1-C3）烷基羰基。本发明的化合物可用于制备治疗需要使用EP4受体拮抗剂的病理情况的药物，例如治疗急性和慢性疼痛、炎症性疼痛、骨关节炎、炎症相关疾病如关节炎、类风湿性关节炎、癌症、子宫内膜异位症和偏头痛。

  公开号：

  US20130261100A1
• 作为产物：
  描述：

  3-氟苯酚 、 1-Boc-3-羟甲基哌啶 生成 tert-butyl 3-((3-fluorophenoxy)methyl)piperidine-1-carboxylate
  参考文献：
  名称：

  PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS

  摘要：

  本发明涉及式（I）的吡啶酰胺衍生物或其药学上可接受的盐，其中R1和R2独立地是氢、线性或支链（C1-C3）烷基或共同形成环丙基环；R独立地选自卤素和三氟甲基的群体，p为1、2或3；A为C或N；E为式（B）或（C）的基团，其中B为C(O)OH、C(O)O(C1-C3)烷基，C选自式（I），m为1、2或3，n为0或1，W为—O—、—O(C1-C3烷基)-、—(C1-C3烷基)O—、—C(O)—、—C(═N—O(C1-C3烷基))-、—NH—或—NH(C1-C3烷基)-；Ar为苯基，可选地取代一个或多个取代基，所述取代基选自卤素、三氟甲基、三氟甲氧基、甲基、—NH(C1-C3烷基)-、—N(C1-C3烷基)(C1-C3烷基)-、含有一个氮原子的从5到7个成员的杂环环，该氮原子与Ar成共价键，并可选地含有一个或两个选自N、O和S的杂原子；以及含有1至3个选自S、O和N的杂环芳香环，该杂环芳香环被一种或两种取代基所取代，所述取代基选自（C1-C3）烷基、（C3-C5）环烷氧基、（C1-C3）烷基羰基。本发明的化合物可用于制备治疗需要使用EP4受体拮抗剂的病理情况的药物，例如治疗急性和慢性疼痛、炎症性疼痛、骨关节炎、炎症相关疾病如关节炎、类风湿性关节炎、癌症、子宫内膜异位症和偏头痛。

  公开号：

  US20130261100A1

文献信息

• SUBSTITUTED BIPIPERIDINYL DERIVATIVES
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：US20160318866A1

  公开（公告）日：2016-11-03

  The invention relates to novel substituted bipiperidinyl derivatives, to processes for their preparation, to their use for the treatment and/or prevention of diseases and to their use for preparing medicaments for the treatment and/or prevention of diseases, in particular for the treatment and/or prevention of diabetic microangiopathies, diabetic ulcers on the extremities, in particular for promoting wound healing of diabetic foot ulcers, diabetic heart failure, diabetic coronary microvascular heart disorders, peripheral and cardiac vascular disorders, thromboembolic disorders and ischaemias, peripheral circulatory disturbances, Raynaud's phenomenon, CREST syndrome, microcirculatory disturbances, intermittent claudication, and peripheral and autonomous neuropathies.

  该发明涉及新型取代的双哌啶衍生物，涉及它们的制备方法，涉及它们用于治疗和/或预防疾病以及用于制备治疗和/或预防疾病的药物的用途，特别是用于治疗和/或预防糖尿病微血管病变、四肢糖尿病溃疡，特别是促进糖尿病足溃疡愈合、糖尿病心力衰竭、糖尿病冠状微血管心脏疾病、外周和心脏血管疾病、血栓栓塞疾病和缺血、外周循环障碍、雷诺现象、CREST综合征、微循环障碍、间歇性跛行以及外周和自主神经病变的治疗和/或预防。
• [EN] PYRIDINE AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS DE PYRIDINAMIDE EN TANT QU'ANTAGONISTES DE RÉCEPTEUR EP4
  申请人：ROTTAPHARM SPA

  公开号：WO2012076063A1

  公开（公告）日：2012-06-14

  The invention relates pyridine amide derivative of Formula (I) or a pharmaceutically acceptable salt thereof, wherein R1 and R2 are independently hydrogen, linear o branched (C1-C3)alkyl or joined together they form a cyclopropyl ring; R is independently selected from the group consisting of halogens and trifluoromethyl and p is 1, 2 or 3; A is C or N; E is a group of formula (B) or (C), wherein B is C(O)OH, C(O)O(C1-C3)alkyl, and C is selected from the group consisting of formula (I) m is 1,2 or 3, n is 0 or 1, W is -O-, -O(C1-C3 alkyl)-; -(C1-C3 alkyl)O-; -C(O)-; -C(=N-O(C1-C3 alkyl))-; -NH- or -NH(C1-C3alkyl)-; Ar is phenyl, optionally substituted with one or more substituents selected from the group consisting of halogen, trifluoromethyl, trifluoromethoxy, methyl, -NH(C1-C3alkyl)-; -N(C1-C3alkyl)(C1-C3alkyl)-, a from 5 to 7 membered heterocyclic ring containing one nitrogen atom which is convalently bonded to Ar and optionally containing one or two heteroatoms selected from N, O and S; and a 5- or 6-membered heteroaromatic ring containing 1 to 3 heteroatoms selected from S, O e N, such heteroaromatic ring being substituted with one or two substituents selected from the group consisting of (C1-C3)alkyl, (C3-C5)cycloalkyloxy, (C1-C3)alkylcarbonyl. The compounds of the invention could be used for manufacturing a medicament for the treatment of pathologies which require the use of an antagonist of the EP4 receptor, such as the treatment of acute and chronic pain, inflammatory pain, osteoarthritis, inflammation-associated disorder as arthritis, rheumatoid artrhritis, cancer, endometriosis and migraine.

  该发明涉及式(I)的吡啶酰胺衍生物或其药学上可接受的盐，其中R1和R2独立地为氢、直链或支链(C1-C3)烷基，或者它们结合在一起形成环丙基环；R独立地选自卤素和三氟甲基的群，p为1、2或3；A为C或N；E为式(B)或(C)的基团，其中B为C(O)OH、C(O)O(C1-C3)烷基，C选自式(I)的群，m为1、2或3，n为0或1，W为-O-、-O(C1-C3烷基)-、-(C1-C3烷基)O-、-C(O)-、-C(=N-O(C1-C3烷基))-、-NH-或-NH(C1-C3烷基)-；Ar为苯基，可选择地取代一个或多个取代基，选自卤素、三氟甲基、三氟甲氧基、甲基、-NH(C1-C3烷基)-、-N(C1-C3烷基)(C1-C3烷基)-，a为含有一个氮原子的5至7元杂环环，与Ar共价键合，可选择地含有一个或两个来自N、O和S的杂原子；以及含有1至3个来自S、O和N的杂原子的5-或6元杂芳环，该杂芳环被选自(C1-C3)烷基、(C3-C5)环烷氧基、(C1-C3)烷基羰基的一或两个取代基取代。该发明的化合物可用于制造用于治疗需要使用EP4受体拮抗剂的病理的药物，例如治疗急性和慢性疼痛、炎症性疼痛、骨关节炎、关节炎、类风湿性关节炎、癌症、子宫内膜异位症和偏头痛。
• Pyridine amide derivatives as EP4 receptor antagonists
  申请人：Borriello Manuela

  公开号：US08828987B2

  公开（公告）日：2014-09-09

  The invention relates pyridine amide derivative of Formula (I) or a pharmaceutically acceptable salt thereof, wherein R1 and R2 are independently hydrogen, linear o branched (C1-C3)alkyl or joined together they form a cyclopropyl ring; R is independently selected from the group consisting of halogens and trifluoromethyl and p is 1, 2 or 3; A is C or N; E is a group of formula (B) or (C), wherein B is C(O)OH, C(O)O(C1-C3)alkyl, and C is selected from the group consisting of formula (I) m is 1,2 or 3, n is 0 or 1, W is —O—, —O(C1-C3 alkyl)-; —(C1-C3 alkyl)O—; —C(O)—; —C(═N—O(C1-C3 alkyl))-; —NH— or —NH(C1-C3alkyl)-; Ar is phenyl, optionally substituted with one or more substituents selected from the group consisting of halogen, trifluoromethyl, trifluoromethoxy, methyl, —NH(C1-C3alkyl)-; —N(C1-C3alkyl)(C1-C3alkyl)-, a from 5 to 7 membered heterocyclic ring containing one nitrogen atom which is covalently bonded to Ar and optionally containing one or two heteroatoms selected from N, O and S; and a 5- or 6-membered heteroaromatic ring containing 1 to 3 heteroatoms selected from S, O e N, such heteroaromatic ring being substituted with one or two substituents selected from the group consisting of (C1-C3)alkyl, (C3-C5)cycloalkyloxy, (C1-C3)alkylcarbonyl. The compounds of the invention could be used for manufacturing a medicament for the treatment of pathologies which require the use of an antagonist of the EP4 receptor, such as the treatment of acute and chronic pain, inflammatory pain, osteoarthritis, inflammation-associated disorder as arthritis, rheumatoid arthritis, cancer, endometriosis and migraine.

  本发明涉及式（I）的吡啶酰胺衍生物或其药学上可接受的盐，其中R1和R2分别独立地为氢、线性或支链（C1-C3）烷基或结合在一起形成环丙基环；R独立地选自卤素和三氟甲基，p为1、2或3；A为C或N；E为式（B）或（C）的基团，其中B为C（O）OH、C（O）O（C1-C3）烷基，C选自式（I），m为1、2或3，n为0或1，W为—O—、—O（C1-C3烷基）-、—（C1-C3烷基）O—、—C（O）—、—C（═N—O（C1-C3烷基））-、—NH—或—NH（C1-C3烷基）-；Ar为苯基，可选地取代一个或多个取代基，所述取代基选自卤素、三氟甲基、三氟甲氧基、甲基、—NH（C1-C3烷基）-、—N（C1-C3烷基）（C1-C3烷基）-、含有一个氮原子的5至7元杂环，该氮原子与Ar共价键合，并可选地含有一或两个选自N、O和S的杂原子；以及含有1至3个选自S、O和N的杂环芳烃环，该杂环芳烃环被一个或两个选自（C1-C3）烷基、（C3-C5）环烷氧基、（C1-C3）烷基羰基的取代基取代。本发明的化合物可用于制造治疗需要使用EP4受体拮抗剂的病理学的药物，例如治疗急性和慢性疼痛、炎症性疼痛、骨关节炎、关节炎、类风湿性关节炎、癌症、子宫内膜异位症和偏头痛等炎症相关疾病。
• US8828987B2
  申请人：——

  公开号：US8828987B2

  公开（公告）日：2014-09-09