2-tert-butyl-4-[4-(3-chloro-propyl)-piperazin-1-yl]-6-propyl-pyrimidine | 803682-93-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-tert-butyl-4-[4-(3-chloro-propyl)-piperazin-1-yl]-6-propyl-pyrimidine
• 英文别名: 2-tert-butyl-4-[4-(3-chloro-propyl)-piperazin-1-yl]-6-n-propylpyrimidine；2-tert-butyl-4-[4-(3-chloropropyl)piperazin-1-yl]-6-propylpyrimidine
• CAS: 803682-93-1
• 化学式: C₁₈H₃₁ClN₄
• 分子量: 338.924
• InChiKey: WBWLENDPPFYGJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  32.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-tert-butyl-4-[4-(3-chloro-propyl)-piperazin-1-yl]-6-propyl-pyrimidine 、 4-甲基-5-甲基-4H-[1,2,3]三唑-3-硫醇 以yielded 0.5 g (33.6%) of title compound as a solid的产率得到2-tert-butyl-4-{4-[3-(4-methyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-propyl]-piperazin-1-yl}-6-propyl-pyrimidine hydrochloride
  参考文献：
  名称：

  Triazole compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor

  摘要：

  本发明涉及通式I的三唑类化合物，其中R1为氢或甲基，R2为C3-C4烷基或C1-C2氟代烷基，以及这些化合物的生理上可耐受的酸盐。本发明还涉及一种制备至少一种通式I的三唑类化合物和/或至少一种生理上可耐受的酸盐的制药组合物，以及一种用于治疗对多巴胺D3受体拮抗剂或多巴胺D3激动剂有益反应的疾病的方法，该方法包括向需要治疗的对象中给予至少一种通式I的三唑类化合物或生理上可耐受的酸盐的有效量。

  公开号：

  US06919342B2
• 作为产物：
  描述：

  2-tert-butyl-4-piperazin-1-yl-6-propyl-pyrimidine 、 1-溴-3-氯丙烷 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 3.0h， 以31%的产率得到2-tert-butyl-4-[4-(3-chloro-propyl)-piperazin-1-yl]-6-propyl-pyrimidine
  参考文献：
  名称：

  Triazole compouds suitable for treating disorders that respond to modulation of the dopamine D3 receptor

  摘要：

  公开号：

  EP1484330B1

文献信息

• [EN] TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR<br/>[FR] COMPOSES TRIAZOLE UTILISES DANS LE TRAITEMENT DE TROUBLES REAGISSANT A LA MODULATION DU RECEPTEUR DE DOPAMINE D3
  申请人：ABBOTT GMBH & CO KG

  公开号：WO2004108706A1

  公开（公告）日：2004-12-16

  The invention relates to triazole compounds of the general formula I wherein R1 is hydrogen or methyl, and R2 is C3-C4alkyl or C1-C2fluoroalkyl, as well as the physiologically tolerated acid addition salts of these compounds. The invention also relates to a pharmaceutical composition that comprises at least one triazole compound of the formula (I) and/or at least one physiologically tolerated acid addition salt thereof, and further to a method for treating disorders that respond beneficially to dopamine D3 receptor antagonists or dopamine D3agonists, said method comprising administering an effective amount of at least one triazole compound or physiologically tolerated acid addition salt of the formula (I) to a subject in need thereof.

  本发明涉及通式I的三唑类化合物，其中R1为氢或甲基，R2为C3-C4烷基或C1-C2氟烷基，以及这些化合物的生理可耐受的酸盐。本发明还涉及一种制药组合物，该组合物包括至少一种通式(I)的三唑化合物和/或至少一种生理可耐受的酸盐，以及一种用于治疗对多巴胺D3受体拮抗剂或多巴胺D3激动剂有益反应的障碍的方法，该方法包括向需要的受体中注射至少一种通式(I)的三唑化合物或生理可耐受的酸盐的有效量。
• Triazole Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor
  申请人：Unger Liliane

  公开号：US20080171751A1

  公开（公告）日：2008-07-17

  The invention relates to compounds of the formula I: wherein n is 1 or 2, Ar is a C-bound 1,2,4-triazol radical which carries a radical R 1 on the remaining carbon atom and a radical R 1a on one of the nitrogen atoms; R 1 is hydrogen, C 1 -C 6 alkyl, C 3 -C 6 cycloalkyl, C 1 -C 4 alkoxymethyl, fluorinated C 1 -C 6 alkyl, fluorinated C 3 -C 6 cycloalkyl, fluorinated C 1 -C 4 alkoxymethyl, or optionally substituted phenyl or 5- or 6-membered heteroaryl; R 1a is hydrogen or C 1 -C 4 alkyl; and R 2 is C 1 -C 6 alkyl, C 3 -C 6 cycloalkyl, fluorinated C 1 -C 6 alkyl or fluorinated C 3 -C 6 cycloalkyl; and to the physiologically tolerated acid addition salts of these compounds. The invention also relates to a pharmaceutical composition that comprises at least one triazole compound of the formula I and/or at least one physiologically tolerated acid addition salt thereof, and further to a method for treating disorders that respond beneficially to dopamine D 3 receptor antagonists or dopamine D 3 agonists, said method comprising administering an effective amount of at least one triazole compound or physiologically tolerated acid addition salt of the formula I to a subject in need thereof.

  该发明涉及公式I的化合物：其中n为1或2，Ar为C-结合的1,2,4-三唑基团，在剩余碳原子上携带基团R1，并在其中一个氮原子上携带基团R1a；R1为氢、C1-C6烷基、C3-C6环烷基、C1-C4烷氧甲基、氟化C1-C6烷基、氟化C3-C6环烷基、氟化C1-C4烷氧甲基或可选取代的苯基或5-或6-成员杂环基；R1a为氢或C1-C4烷基；R2为C1-C6烷基、C3-C6环烷基、氟化C1-C6烷基或氟化C3-C6环烷基；以及这些化合物的生理耐受性酸加盐物。该发明还涉及一种制备至少一种公式I的三唑化合物和/或至少一种生理耐受性酸加盐物的制药组合物，以及一种治疗对多巴胺D3受体拮抗剂或多巴胺D3激动剂有益反应的疾病的方法，该方法包括向需要治疗的受体中给予至少一种公式I的三唑化合物或生理耐受性酸加盐物的有效剂量。
• TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR
  申请人：Unger Liliane

  公开号：US20120095015A1

  公开（公告）日：2012-04-19

  The invention relates to compounds of formula (I), wherein n is 1 or 2, Ar is a C-bound 1,2,4-triazol radical which carries a radical R 1 on the remaining carbon atom and a radical R 1a on one of the nitrogen atoms; R 1 is hydrogen, C 1 -C 6 alkyl, C 3 -C 6 cycloalkyl, C 1 -C 4 alkoxymethyl, fluorinated C 1 -C 6 alkyl, fluorinated C 3 -C 6 cycloalkyl, fluorinated C 1 -C 4 alkoxymethyl, or optionally substituted phenyl or 5- or 6-membered heteroaryl; R 1a is hydrogen or C 1 -C 4 alkyl; and R 2 is C 1 -C 6 alkyl, C 3 -C 6 cycloalkyl, fluorinated C 1 -C 6 alkyl or fluorinated C 3 -C 6 cycloalkyl; and to the physiologically tolerated acid addition salts of there compounds. The invention also relates to a pharmaceutically composition that comprises at least one triazole compound of the formula (I) and/or at least one physiologically tolerated acid addition salt thereof, and further to a method for treating disorders that respond beneficially to dopamine D 3 receptor antagonists or dopamine D 3 agonists, said method comprising administering an effective amount of at least one triazole compound or physiologically tolerated acid addition salt of the formula (I) to a subject in need thereof.

  本发明涉及式（I）的化合物，其中n为1或2，Ar是C-连接的1,2,4-三唑基团，其在剩余碳原子上带有基团R1，并在其中一个氮原子上带有基团R1a；R1为氢，C1-C6烷基，C3-C6环烷基，C1-C4烷氧甲基，氟代C1-C6烷基，氟代C3-C6环烷基，氟代C1-C4烷氧甲基，或者可选取代的苯基或5-或6-成员杂环基；R1a为氢或C1-C4烷基；R2为C1-C6烷基，C3-C6环烷基，氟代C1-C6烷基或氟代C3-C6环烷基；以及这些化合物的生理耐受性酸加成盐。本发明还涉及一种制药组合物，其包括至少一种式（I）的三唑化合物和/或至少一种其生理耐受性酸加成盐，以及一种用于治疗对多巴胺D3受体拮抗剂或多巴胺D3激动剂有益反应的疾病的方法，该方法包括向需要的受体中注射至少一种三唑化合物或式（I）的生理耐受性酸加成盐的有效量。
• TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULAIONT OF THE DOPAMINE D3 RECEPTOR
  申请人：Abbott GmbH & Co. KG

  公开号：EP1817037A1

  公开（公告）日：2007-08-15
• US6919342B2
  申请人：——

  公开号：US6919342B2

  公开（公告）日：2005-07-19