2-三氟甲基-5,6,7,8-四氢吡啶并[4,3-d]嘧啶 | 741737-16-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 中文名称: 2-三氟甲基-5,6,7,8-四氢吡啶并[4,3-d]嘧啶
• 英文名称: 2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
• CAS: 741737-16-6
• 化学式: C₈H₈F₃N₃
• 分子量: 203.167
• InChiKey: CKMCVIMYBWEVKX-UHFFFAOYSA-N

物化性质

• 沸点：
  214.7±40.0 °C(Predicted)
• 密度：
  1.334±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  37.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-isopropoxy-5-(methylsulfonyl)benzoic acid 、 2-三氟甲基-5,6,7,8-四氢吡啶并[4,3-d]嘧啶 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以83%的产率得到(2-isopropoxy-5-methanesulfonyl-phenyl)-(2-trifluoromethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-methanone
  参考文献：
  名称：

  Substituted phenyl methanones

  摘要：

  本发明涉及一般式IA或IB的化合物，其中X1和X2分别独立地为N或C—R″，R1、R2、R3、R4、R5和R6如规范中所定义，并且其药学上可接受的酸盐。这些化合物可用于治疗与甘氨酸转运体抑制剂相关的疾病，如精神分裂症和阿尔茨海默病。

  公开号：

  US20060167023A1
• 作为产物：
  描述：

  tert-butyl 2-(trifluoromethyl)-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carboxylate 225.0 ℃ 、5.17 MPa 条件下， 反应 0.17h， 生成 2-三氟甲基-5,6,7,8-四氢吡啶并[4,3-d]嘧啶
  参考文献：
  名称：

  连续流高温条件下N -Boc基团的脱保护

  摘要：

  对辉瑞化合物库中的26种化合物进行了热解N- Boc脱保护的研究，这些化合物代表了不同的结构部分。在这些化合物中，有12种底物导致干净的（≥95％的产品）脱保护，另外三种化合物给出了≥90％的产品。发现热de-Boc条件与大量官能团相容。计算模型，统计分析和动力学模型拟合的组合用于支持初始，缓慢和一致的质子转移，并释放异丁烯，然后快速脱羧。发现N- Boc羰基的亲电性与反应速率之间存在强相关性。

  DOI：

  10.1021/acs.joc.8b02909

文献信息

• Novel lincomycin derivatives possessing antimicrobial activity
  申请人：Lewis G. Jason

  公开号：US20050043248A1

  公开（公告）日：2005-02-24

  Novel lincomycin derivatives are disclosed. These lincomycin derivatives exhibit antibacterial activity. The compounds of the subject invention may exhibit potent activities against bacteria, including gram positive organisms, and may be useful antimicrobial agents. Methods of synthesis and of use of the compounds are also disclosed.

  新型的林可霉素衍生物被披露。这些林可霉素衍生物表现出抗菌活性。本发明的化合物可能对细菌，包括革兰氏阳性生物，表现出强效活性，并且可能是有用的抗微生物药剂。该化合物的合成和使用方法也被披露。
• Novel lincomycin derivatives possessing antibacterial activity
  申请人：Lewis G. Jason

  公开号：US20050215488A1

  公开（公告）日：2005-09-29

  Novel lincomycin derivatives are disclosed. These lincomycin derivatives exhibit antibacterial activity. The compounds of the subject invention may exhibit potent activities against bacteria, including Gram positive organisms, and may be useful antimicrobial agents. Methods of synthesis and of use of the compounds are also disclosed.

  新型的林可霉素衍生物已被披露。这些林可霉素衍生物表现出抗菌活性。本发明的化合物可能对细菌，包括革兰氏阳性生物，表现出强效活性，并可能是有用的抗微生物药剂。该化合物的合成和使用方法也已被披露。
• DERIVATIVES OF 4-(N-AZACYCLOALKYL) ANILIDES AS POTASSIUM CHANNEL MODULATORS
  申请人：VERNIER Jean-Michel

  公开号：US20080318979A1

  公开（公告）日：2008-12-25

  This invention provides potassium channel modulators which are compounds of formula I where at least one of W and Z is N; where the moiety is one of Groups A or B below A where Ar is a 1,2-fused, six membered ring aromatic group, bearing substituents R 1 and R 2 as defined below, and containing zero or one ring nitrogen atom; and where other substituents are defined herein. The invention also provides a composition comprising a pharmaceutically acceptable carrier and at least one of the following: i) a pharmaceutically effective amount of a compound of formula I and ii) a pharmaceutically acceptable salt, ester, or prodrug thereof. The invention also provides a method of preventing or treating a disease or disorder which is affected by activities of potassium channels, comprising administering to a patient in need thereof a therapeutically effective amount of a compound of formula I or a salt, ester, or prodrug thereof.

  这项发明提供了钾通道调节剂，其化合物为公式I，其中W和Z中至少有一个是N；其中基团为下面的A或B之一： A 其中Ar是一个1,2-融合的六元环芳香基团，带有以下定义的取代基R1和R2，并含有零个或一个环氮原子；其他取代基在此处定义。 该发明还提供了一种组合物，包括一种药学上可接受的载体和以下至少一种：i) 公式I的化合物的药学有效量，以及ii) 其药学上可接受的盐、酯或前药。 该发明还提供了一种预防或治疗受钾通道活动影响的疾病或紊乱的方法，包括向有需要的患者施用公式I的化合物或其盐、酯或前药的治疗有效量。
• 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes
  申请人：Ashton T Wallace

  公开号：US20060074087A1

  公开（公告）日：2006-04-06

  The present invention is directed to 3-amino-4-phenylbutanoic acid derivatives which are inhibitors of the dipeptidyl peptidase-IV enzyme (“DP-IV inhibitors”) and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, such as diabetes and particularly type 2 diabetes. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which the dipeptidyl peptidase-IV enzyme is involved.

  本发明涉及3-氨基-4-苯基丁酸衍生物，它们是二肽基肽酶-IV酶（“DP-IV抑制剂”）的抑制剂，可用于治疗或预防二肽基肽酶-IV酶涉及的疾病，如糖尿病，特别是2型糖尿病。本发明还涉及包含这些化合物的制药组合物以及在预防或治疗二肽基肽酶-IV酶涉及的这些疾病中使用这些化合物和组合物。
• 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes
  申请人：Merck & Co., Inc.

  公开号：US07388019B2

  公开（公告）日：2008-06-17

  The present invention is directed to 3-amino-4-phenylbutanoic acid derivatives which are inhibitors of the dipeptidyl peptidase-IV enzyme (“DP-IV inhibitors”) and which are useful in the treatment or prevention of diseases in which the dipeptidyl peptidase-IV enzyme is involved, such as diabetes and particularly type 2 diabetes. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which the dipeptidyl peptidase-IV enzyme is involved.

  本发明涉及3-氨基-4-苯基丁酸衍生物，其是二肽基肽酶IV酶（“DP-IV抑制剂”）的抑制剂，对于涉及二肽基肽酶IV酶的疾病，如糖尿病，尤其是2型糖尿病的治疗或预防有用。本发明还涉及包含这些化合物的制药组合物以及在涉及二肽基肽酶IV酶的这些疾病的预防或治疗中使用这些化合物和组合物。