2-tert-butyl-4,6-dichloro-5-methyl-pyrimidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-tert-butyl-4,6-dichloro-5-methyl-pyrimidine
• 英文别名: 2-Tert-butyl-4,6-dichloro-5-methylpyrimidine
• 化学式: C₉H₁₂Cl₂N₂
• 分子量: 219.114
• InChiKey: DACAJEXZIFEQLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-tert-butyl-4,6-dichloro-5-methyl-pyrimidine 在 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 N,N-二异丙基乙胺 、 cesium fluoride 作用下， 以 1,4-二氧六环 、 异丁酰胺 为溶剂， 反应 21.0h， 生成 tert-butyl 2-benzyloxycarbonylamino-3-[2-cyclopropyl-5-methyl-6-(4-[1,8]naphthyridin-2-yl-piperidin-1-yl)-pyrimidin-4-ylamino]-propionate
  参考文献：
  名称：

  Pyrimidine Derivatives Which Are Antagonists Of Vitronectin Receptor

  摘要：

  本发明的主题是公式(I)的化合物；其中R1、R2、R3、R4和R具有说明书中指出的含义，它们的制备过程，它们作为对玻连蛋白受体具有拮抗活性的药物的使用以及包含它们的药物组合物。

  公开号：

  US20080058348A1
• 作为产物：
  描述：

  2,2-二甲基丙亚胺盐酸 在 sodium ethanolate 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 1.5h， 生成 2-tert-butyl-4,6-dichloro-5-methyl-pyrimidine
  参考文献：
  名称：

  Pyrimidine Derivatives Which Are Antagonists Of Vitronectin Receptor

  摘要：

  本发明的主题是公式(I)的化合物；其中R1、R2、R3、R4和R具有说明书中指出的含义，它们的制备过程，它们作为对玻连蛋白受体具有拮抗活性的药物的使用以及包含它们的药物组合物。

  公开号：

  US20080058348A1

文献信息

• Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain
  申请人：Hollingworth John Gregory

  公开号：US20050197342A1

  公开（公告）日：2005-09-08

  The present invention provides a compound of formula I: Y-J-NH-Z  (I) wherein: Y is a quinoline or isoquinoline optionally substituted with one or two substituents independently chosen from hydroxy, halogen, haloC 1-4 alkyl, C 1-4 alkyl, C 1-4 alkoxy, haloC 1-4 alkoxy, nitro and amino; J is pyridine, pyridazine, pyrazine, pyrimidine or triazine optionally substituted with one or two substituents independently chosen from hydroxy, halogen, haloC 1-4 alkyl, C 1-4 alkyl, C 3-5 cycloalkyl, C 1-4 alkoxy, hydroxyC 1-4 alkyl, cyano, hydroxy, C 1-4 cycloalkoxy, C 1-4 alkylthio, haloC 1-4 alkoxy, nitro, Q, (CH 2 ) p Q, —NR 2 R 3 , —(CH 2 ) p NR 2 R 3 and —O(CH 2 ) p NR 2 R 3 ; wherein J is substituted at positions meta to each other by NH and Y; and Z is phenyl or pyridyl optionally substituted with one or two substituents independently selected from halogen, haloC 1-4 alkyl, C 1-4 alkyl, C 1-4 alkoxy, haloC 1-4 alkoxy, nitro and amino; Q is phenyl, a five-membered heterocyclic ring containing one, two, three or four heteroatoms chosen from O, N and S, at most one heteroatom being O or S, or a six-membered heterocyclic ring containing one, two or three nitrogen atoms, optionally substituted by C 1-4 alkyl; each R 2 and R 3 is chosen from H and C 1-4 alkyl, or R 2 and R 3 , together with the nitrogen atom to which they are attached, may form a six-membered ring optionally containing an oxygen atom or a further nitrogen atom, which ring is optionally substituted by C 1-4 alkyl or Q; p is 1, 2 or 3; or a pharmaceutically acceptable salt thereof; pharmaceutical compositions comprising it; its use in methods of therapy; use of it for manufacturing medicaments; and methods of using it to treat diseases requiring administration of a VR1 antagonist such as pain, cough, GERD and depression.

  本发明提供一种公式I的化合物：Y-J-NH-Z（I），其中：Y是喹啉或异喹啉，可选地取代一个或两个取代基，独立地选择自羟基，卤素，卤基C1-4烷基，C1-4烷基，C1-4烷氧基，卤基C1-4烷氧基，硝基和氨基；J是吡啶，吡嗪，吡咯，嘧啶或三嗪，可选地取代一个或两个取代基，独立地选择自羟基，卤素，卤基C1-4烷基，C1-4烷基，C3-5环烷基，C1-4烷氧基，羟基C1-4烷基，氰基，C1-4环烷氧基，C1-4烷基硫基，卤基C1-4烷氧基，硝基，Q，（CH2）pQ，—NR2R3，—（ ）pNR2R3和—O（ ）pNR2R3；其中J在与Y相对的位置上被NH取代；Z是苯基或吡啶基，可选地取代一个或两个取代基，独立地选择自卤素，卤基C1-4烷基，C1-4烷基，C1-4烷氧基，卤基C1-4烷氧基，硝基和氨基；Q是苯基，含有一个、两个、三个或四个杂原子（O、N和S）的五元杂环，最多有一个杂原子为O或S，或含有一个、两个或三个氮原子的六元杂环，可选地被C1-4烷基取代；每个R2和R3选择自H和C1-4烷基，或者R2和R3与它们连接的氮原子一起，可以形成一个六元环，可选地含有一个氧原子或进一步的氮原子，该环可选地被C1-4烷基或Q取代；p为1、2或3；或其药学上可接受的盐；包含该化合物的药物组合物；其在治疗方法中的使用；用于制造药物的使用；以及使用它治疗需要VR1拮抗剂（如疼痛、咳嗽、GERD和抑郁症）的疾病的方法。
• METHODS FOR THE USE OF PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONISTS OF VITRONECTIN RECEPTOR
  申请人：Lefrancois Jean-Michel

  公开号：US20100041675A1

  公开（公告）日：2010-02-18

  A subject of the invention is the compounds of formula (I); in which R 1 , R 2 , R 3 , R 4 and R have the meanings indicated in the description, their preparation process, their use as medicaments having an antagonist activity on the vitronectin receptor and the pharmaceutical compositions containing them.

  本发明的主题是式(I)的化合物;其中R1、R2、R3、R4和R的含义如说明书中所示，它们的制备过程，它们作为具有抗vitronectin受体活性的药物的用途以及包含它们的制药组合物。
• Methods for the use of pyrimidine derivatives which are antagonists of vitronectin receptor
  申请人：Galapagos SAS

  公开号：US07846932B2

  公开（公告）日：2010-12-07

  A subject of the invention is the compounds of formula (I); in which R1, R2, R3, R4 and R have the meanings indicated in the description, their preparation process, their use as medicaments having an antagonist activity on the vitronectin receptor and the pharmaceutical compositions containing them.

  该发明的主题是公式（I）的化合物；其中R1、R2、R3、R4和R具有说明书中所示的含义，它们的制备过程，它们作为具有对vitronectin受体拮抗活性的药物的用途以及包含它们的制药组合物。
• Pyrimidine derivatives which are antagonists of vitronectin receptor
  申请人：Galapagos SAS

  公开号：US07825119B2

  公开（公告）日：2010-11-02

  A subject of the invention is the compounds of formula (I): in which R1, R2, R3, R4 and R have the meanings indicated in the description, their preparation process, their use as medicaments having an antagonist activity on the vitronectin receptor and the pharmaceutical compositions containing them.

  本发明的主题是公式（I）的化合物：其中R1，R2，R3，R4和R具有说明书中指示的含义，它们的制备过程，它们作为具有抗维糖蛋白受体活性的药物的用途以及含有它们的制药组合物。
• PYRIMIDINE DERIVATIVES WHICH ARE ANTAGONISTS OF THE VITRONECTIN RECEPTOR
  申请人：Lefrancois Jean-Michel

  公开号：US20120115883A1

  公开（公告）日：2012-05-10

  A subject of the invention is the compounds of formula (I); in which R 1 , R 2 , R 3 , R 4 and R have the meanings indicated in the description, their preparation process, their use as medicaments having an antagonist activity on the vitronectin receptor and the pharmaceutical compositions containing them.

  本发明的主题是式(I)的化合物；其中R1、R2、R3、R4和R具有说明中所示的含义，它们的制备过程，它们作为拥有对vitronectin受体拮抗活性的药物的用途以及含有它们的制药组合物。