N-isopropyl-cis-decahydroisoquinoline | 90653-73-9

• 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: N-isopropyl-cis-decahydroisoquinoline
• 英文别名: (4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
• CAS: 90653-73-9；90653-80-8
• 化学式: C₁₂H₂₃N
• 分子量: 181.321
• InChiKey: ODJDNOFJTLHXAF-NWDGAFQWSA-N

物化性质

• 沸点：
  85-89 °C(Press: 37 Torr)
• 密度：
  0.899±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  N-ethoxycarbonyl-cis-decahydroisoquinoline 在 盐酸 、 三乙胺 作用下， 以 苯 为溶剂， 反应 58.0h， 生成 N-isopropyl-cis-decahydroisoquinoline
  参考文献：
  名称：

  N-烷基-顺式-十氢异喹啉中环反转引起的构象平衡

  摘要：

  已直接从13 C和/或19 F中评估了N-烷基-顺式-十氢异喹啉（烷基= Me，Et，Pr i，CH 2 CF 3或CH 2 CCl 3）中由于环反转引起的构象平衡位置。在173和253 K之间的温度下记录的nmr光谱。测得的平衡常数与N取代基的感应作用有关，该感应作用产生增加（Me，Et，Pr i）或减少（CH 2 CF 3，CH 2 CCl 3））的大小gauche丙胺型排斥反应。将经历交换的两个双椅构象的碳原子的13 C化学位移列表化。

  DOI：

  10.1039/p29840000583

文献信息

• THERAPEUTIC COMPOUNDS
  申请人：Gilead Sciences, Inc.

  公开号：US20130281433A1

  公开（公告）日：2013-10-24

  Compounds disclosed herein including compounds of formula I′: and salts thereof are provided. Pharmaceutical compositions comprising compounds disclosed herein, processes for preparing compounds disclosed herein, intermediates useful for preparing compounds disclosed herein and therapeutic methods for treating an HIV infection using compounds disclosed herein are also provided.

  本文披露的化合物包括公式I′的化合物及其盐。还提供了包含本文披露的化合物的药物组合物、制备本文披露的化合物的方法、用于制备本文披露的化合物的中间体以及使用本文披露的化合物治疗HIV感染的治疗方法。
• Viral Polymerase Inhibitors
  申请人：Beaulieu Louis Pierre

  公开号：US20070142380A1

  公开（公告）日：2007-06-21

  An isomer, enantiomer, diastereoisomer or tautomer of a compound, represented by formula I: wherein A, B, R 2 , R 3 , L, M 1 , M 2 , M 3 , M 4 , Y 1 , Y 0 , Z and Sp are as defined in claim 1 , or a salt thereof, as an inhibitor of HCV NS5B polymerase.

  一种化合物的同分异构体、对映异构体、非对映异构体或互变异构体，其化学式为I：其中A、B、R2、R3、L、M1、M2、M3、M4、Y1、Y0、Z和Sp如权利要求1所定义，或其盐，作为HCV NS5B聚合酶的抑制剂。
• Nitrogen-containing tricyclic derivatives having HIV replication inhibitory activity
  申请人：Shionogi & Co., Ltd.

  公开号：US10870661B2

  公开（公告）日：2020-12-22

  The present invention provides a novel compound having antiviral activity, especially HIV replication inhibitory activity and a medicament containing the same. The compound represented by the formula: wherein A3 is CR3A, CR3AR3B, N or NR3C; R3A, R3B, R4A and R4B are each independently a hydrogen atom, halogen, cyano, substituted or unsubstituted alkyl, substituted or unsubstituted alkynyl, or substituted or unsubstituted non-aromatic carbocyclyl; R3C is a hydrogen atom, substituted or unsubstituted alkyl, or substituted or unsubstituted non-aromatic carbocyclyl; ring T1 is substituted or unsubstituted nitrogen-containing non-aromatic heterocycle; R1 is a hydrogen atom, halogen, cyano, or substituted or unsubstituted alkyl; R2 is each independently substituted or unsubstituted alkyl or the like: n is 1 or 2; R3 is substituted or unsubstituted aromatic carbocyclyl or the like; R4 is a hydrogen atom or a carboxy protecting group.

  本发明提供了一种具有抗病毒活性，特别是艾滋病毒复制抑制活性的新型化合物和含有该化合物的药物。该化合物由式表示： 其中A3是CR3A、CR3AR3B、N或NR3C；R3A、R3B、R4A和R4B各自独立地是氢原子、卤素、氰基、取代或未取代的烷基、取代或未取代的炔基、或取代或未取代的非芳香族碳环；R3C 是氢原子、取代或未取代的烷基、取代或未取代的非芳香族碳环；环 T1 是取代或未取代的含氮非芳香族杂环；R1 是氢原子、卤素、氰基、取代或未取代的烷基；R2 各自独立地是取代或未取代的烷基或类似物：n 是 1 或 2；R3 是取代或未取代的芳香族碳环或类似物；R4 是氢原子或羧基保护基团。
• HIV REPLICATION INHIBITOR
  申请人：SHIONOGI & CO., LTD.

  公开号：US20150361093A1

  公开（公告）日：2015-12-17

  The present invention provides a novel compound having an antiviral activity, in particular, an HIV replication inhibiting activity, as well as a pharmaceutical composition, in particular, an anti-HIV agent. wherein ring A is substituted or unsubstituted carbocycle or substituted or unsubstituted heterocycle; R 1 is substituted or unsubstituted alkyl etc.; R 2 is substituted or unsubstituted alkyloxy etc.; n is 1 or 2; R 3 is substituted or unsubstituted carbocyclyl or substituted or unsubstituted heterocyclyl; R 4 is a hydrogen atom etc.; R 6 is substituted or unsubstituted alkyl etc.
• TRICYCLIC HETEROCYCLE DERIVATIVES HAVING HIV REPLICATION INHIBITORY EFFECT
  申请人：Shionogi & Co., Ltd.

  公开号：US20170107234A1

  公开（公告）日：2017-04-20

  The present invention provides the following compound having anti-HIV activity of formula: wherein, A 1 is C, CR 1A or N; A 2 is C, CR 2A , or N; A 3 is CR 3A , CR 3A R 3B , N, NR 3C , O, S, SO, or SO 2 ; A 4 is CR 4A , CR 4A R 4B , N, NR 4 C, O, S, SO, or SO2; A 5 is C, CR 5A , or N; T 1 ring is substituted or unsubstituted monocyclic carbocycle or substituted or unsubstituted monocyclic heterocycle; R 1 is halogen, cyano, nitro or —X 1 —R 11 ; R 2 is substituted or unsubstituted alkyl and the like; n is 1 or 2; R 3 is hydrogen, substituted or unsubstituted aromatic carbocyclyl; R 4 is hydrogen or a carboxy protecting group; the other symbols are as specified in the description.