4,5,6,7-四氢-1-甲基-3-(三氟甲基)吡唑啉酮-[4,3-C]-吡啶 | 794451-94-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 4,5,6,7-四氢-1-甲基-3-(三氟甲基)吡唑啉酮-[4,3-C]-吡啶
• 中文别名: 4,5,6,7-四氢-1-甲基-3-三氟甲基-1H-吡唑并[4,3-c]吡啶
• 英文名称: 1-Methyl-3-trifluoromethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
• 英文别名: 1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine；1-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
• CAS: 794451-94-8
• 化学式: C₈H₁₀F₃N₃
• 分子量: 205.183
• InChiKey: WVQJXLTUCZSZCQ-UHFFFAOYSA-N

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：
  0.62
• 拓扑面积：
  29.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4,5,6,7-四氢-1-甲基-3-(三氟甲基)吡唑啉酮-[4,3-C]-吡啶 在 盐酸 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 生成 (R)-3-Amino-4-(2,5-difluoro-phenyl)-1-(1-methyl-3-trifluoromethyl-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl)-butan-1-one
  参考文献：
  名称：

  衍生自带有稠合噻唑，恶唑，异恶唑或吡唑的β-氨基酰基哌啶的二肽基肽酶IV抑制剂。

  摘要：

  合成了一系列带有各种稠合五元杂环的β-氨基酰基哌啶，作为二肽基肽酶IV抑制剂。根据杂环，区域异构和取代的选择，可以获得有效且相对选择性的抑制作用。特别地，尽管具有相当高的清除率，一种类似物（74，DPP-IV IC50 ＝ 26nM）在大鼠中表现出良好的口服生物利用度和可接受的半衰期。

  DOI：

  10.1016/j.bmcl.2005.03.012
• 作为产物：
  描述：

  tert-butyl 4-oxo-3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate 、 甲基肼 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 4,5,6,7-四氢-1-甲基-3-(三氟甲基)吡唑啉酮-[4,3-C]-吡啶 、 2-Methyl-3-trifluoromethyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine
  参考文献：
  名称：

  衍生自带有稠合噻唑，恶唑，异恶唑或吡唑的β-氨基酰基哌啶的二肽基肽酶IV抑制剂。

  摘要：

  合成了一系列带有各种稠合五元杂环的β-氨基酰基哌啶，作为二肽基肽酶IV抑制剂。根据杂环，区域异构和取代的选择，可以获得有效且相对选择性的抑制作用。特别地，尽管具有相当高的清除率，一种类似物（74，DPP-IV IC50 ＝ 26nM）在大鼠中表现出良好的口服生物利用度和可接受的半衰期。

  DOI：

  10.1016/j.bmcl.2005.03.012

文献信息

• QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS
  申请人：Nazaré Marc

  公开号：US20100135999A1

  公开（公告）日：2010-06-03

  The present invention relates to compounds of the formula I, in which R 1 ; R 2 ; R 3 ; R 4 ; R 5 ; R 6 ; Z; A; B; E; X; Q; J; V; G and M have the meanings indicated in the claims. The compounds of the formula I are valuable pharmacologically active compounds. They exhibit a strong anti-aggregating effect on platelets and thus an anti-thrombotic effect and are suitable e.g. for the therapy and prophylaxis of cardio-vascular disorders like thromboembolic diseases or restenoses. They are reversible antagonists of the platelet ADP receptor P2Y12, and can in general be applied in conditions in which an undesired activation of the platelet ADP receptor P2Y12 is present or for the cure or prevention of which an inhibition of the platelet ADP receptor P2Y12 is intended. The invention furthermore relates to processes for the preparation of compounds of the formula I, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及公式I的化合物，其中R1; R2; R3; R4; R5; R6; Z; A; B; E; X; Q; J; V; G和M具有所述声明中指示的含义。公式I的化合物是有价值的药理活性化合物。它们对血小板具有强烈的抗聚集作用，从而具有抗血栓作用，适用于治疗和预防心血管疾病，如血栓栓塞病或再狭窄。它们是血小板ADP受体P2Y12的可逆拮抗剂，通常适用于存在不良激活血小板ADP受体P2Y12的情况，或者治愈或预防需要抑制血小板ADP受体P2Y12的情况。此外，本发明还涉及制备公式I化合物的方法，它们的用途，特别是作为药物中的活性成分，以及包含它们的制药制剂。
• COMPOUNDS FOR THE TREATMENT OF HIV
  申请人：Bondy Steven S.

  公开号：US20140142085A1

  公开（公告）日：2014-05-22

  The invention provides compounds of formula (I): or a salt thereof as described herein. The invention also provides pharmaceutical compositions comprising a compound of formula (I), processes for preparing compounds of formula (I), intermediates useful for preparing compounds of formula I and therapeutic methods for treating a Retroviridae viral infection including an infection caused by the HIV virus.

  本发明提供了以下式子（I）的化合物或其盐，如本文所述。本发明还提供了包括式子（I）化合物的制药组合物，制备式子（I）化合物的方法，用于制备式子I化合物的中间体以及治疗逆转录病毒感染的治疗方法，包括由HIV病毒引起的感染。
• Compounds for the treatment of HIV
  申请人：Gilead Sciences, Inc.

  公开号：US10370358B2

  公开（公告）日：2019-08-06

  The invention provides compounds of formula (I): or a salt thereof as described herein. The invention also provides pharmaceutical compositions comprising a compound of formula (I), processes for preparing compounds of formula (I), intermediates useful for preparing compounds of formula I and therapeutic methods for treating a Retroviridae viral infection including an infection caused by the HIV virus.

  本发明提供如本文所述的式(I)化合物或其盐。本发明还提供了包含式（I）化合物的药物组合物、制备式（I）化合物的工艺、用于制备式（I）化合物的中间体以及治疗逆转录病毒科病毒感染（包括由 HIV 病毒引起的感染）的治疗方法。
• 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：US20060069116A1

  公开（公告）日：2006-03-30

  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.
• Compounds For the Treatment of HIV
  申请人：Gilead Sciences, Inc.

  公开号：US20180194746A1

  公开（公告）日：2018-07-12

  The invention provides compounds of formula (I): or a salt thereof as described herein. The invention also provides pharmaceutical compositions comprising a compound of formula (I), processes for preparing compounds of formula (I), intermediates useful for preparing compounds of formula I and therapeutic methods for treating a Retroviridae viral infection including an infection caused by the HIV virus.