Tert-butyl 4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-yl]oxypiperidine-1-carboxylate | 935685-77-1

• 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 4-[5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-yl]oxypiperidine-1-carboxylate
• CAS: 935685-77-1
• 化学式: C₂₀H₂₄N₄O₃S
• 分子量: 400.502
• InChiKey: TZVDRMCGZOUBHY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  106
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• Thiazolyl mglur5 antagonists and methods for their use
  申请人：Cosford Nicholas D.

  公开号：US20090203903A1

  公开（公告）日：2009-08-13

  The identification of a unique series of compounds which possesses special advantages in terms of drug-like properties due to their possessing advantageous properties in terms of potency and/or pharmacokinetic and/or selectivity and/or in vivo receptor occupancy properties. Specifically, the selection of a 1,3-thiazol-2-yl ring member linked by an ethynylene to the 3 position of a pyridyl ring or the 5 position of a pyrimidinyl ring, wherein the ring is substituted with selected substituents, results in a compound having superior drug-like properties. The invention includes pharmaceutically acceptable salt forms of these heterocyclic compounds, in particular chloride salts and trifluoroacetate salts.

  一系列独特化合物的鉴定，由于它们在药物样性方面具有优势特性，包括在效力、药代动力学、选择性和体内受体占有性质方面具有优势特性。具体来说，选择一个由乙炔基连接到吡啶环的3位或嘧啶环的5位的1,3-噻唑-2-基环成员，其中环被选定取代基取代，将导致一种具有优越药物样性的化合物。该发明包括这些杂环化合物的药用盐形式，特别是氯化盐和三氟乙酸盐。
• Thiazolyl Mglur5 Antagonists and Methods for Their Use
  申请人：Cosford Nicholas D.

  公开号：US20110230526A1

  公开（公告）日：2011-09-22

  The identification of a unique series of compounds which possesses special advantages in terms of drug-like properties due to their possessing advantageous properties in terms of potency and/or pharmacokinetic and/or selectivity and/or in vivo receptor occupancy properties. Specifically, the selection of a 1,3-thiazol-2-yl ring member linked by an ethynylene to the 3 position of a pyridyl ring or the 5 position of a pyrimidinyl ring, wherein the ring is substituted with selected substituents, results in a compound having superior drug-like properties. The invention includes pharmaceutically acceptable salt forms of these heterocyclic compounds, in particular chloride salts and trifluoroacetate salts.

  本发明涉及一系列独特的化合物，由于它们具有优越的药物特性，因此具有优越的药物特性，包括效力和/或药代动力学和/或选择性和/或体内受体占有率特性。具体来说，选择一个1,3-噻唑-2-基环成员，通过乙炔基连接到吡啶环的3位或嘧啶环的5位，其中该环被选定的取代基取代，结果产生具有优越药物特性的化合物。本发明包括这些杂环化合物的药学上可接受的盐形式，特别是氯化物盐和三氟乙酸盐。
• THIAZOLYL MGLUR5 ANTAGONISTS AND METHODS FOR THEIR USE
  申请人：Cosford Nicholas D.

  公开号：US20120289696A1

  公开（公告）日：2012-11-15

  The identification of a unique series of compounds which possesses special advantages in terms of drug-like properties due to their possessing advantageous properties in terms of potency and/or pharmacokinetic and/or selectivity and/or in vivo receptor occupancy properties. Specifically, the selection of a 1,3-thiazol-2-yl ring member linked by an ethynylene to the 3 position of a pyridyl ring or the 5 position of a pyrimidinyl ring, wherein the ring is substituted with selected substituents, results in a compound having superior drug-like properties. The invention includes pharmaceutically acceptable salt forms of these heterocyclic compounds, in particular chloride salts and trifluoroacetate salts.

  本发明涉及一种独特的化合物系列的鉴定，由于这些化合物具有优越的药物性质，因此具有优越的效力、药代动力学、选择性和/或体内受体占用性质。具体而言，选择将1,3-噻唑-2-基环成员与乙炔基连接到吡啶环的3位或嘧啶环的5位，其中该环被选定的取代基取代，可得到具有优越药物性质的化合物。本发明包括这些杂环化合物的药用可接受盐形式，特别是氯化物盐和三氟乙酸盐。
• US7879882B2
  申请人：——

  公开号：US7879882B2

  公开（公告）日：2011-02-01
• US8242143B2
  申请人：——

  公开号：US8242143B2

  公开（公告）日：2012-08-14