1,1-dimethylethyl {(3R)-3-methyl-3-[(2-methylpropyl)amino]propyl}carbamate | 1309562-23-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1,1-dimethylethyl {(3R)-3-methyl-3-[(2-methylpropyl)amino]propyl}carbamate
• 英文别名: 1,1-dimethylethyl {(1R)-1-methyl-3-[(2-methylpropyl)amino]propyl}carbamate；tert-butyl N-[(2R)-4-(2-methylpropylamino)butan-2-yl]carbamate
• CAS: 1309562-23-9
• 化学式: C₁₃H₂₈N₂O₂
• 分子量: 244.378
• InChiKey: LDVUBZFHNBAKGD-LLVKDONJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,1-dimethylethyl {(3R)-3-methyl-3-[(2-methylpropyl)amino]propyl}carbamate 在 盐酸 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 [(3R)-3-aminobutyl](2-methylpropyl)amine dihydrochloride
  参考文献：
  名称：

  WO2006/116764

  摘要：

  公开号：
• 作为产物：
  描述：

  2-甲基-2-丙基[(2R)-1-氰基-2-丙基]氨基甲酸酯 在 Raney-Ni 氨 、 氢气 、 三乙酰氧基硼氢化钠 作用下， 以 乙醇 、 水 、 1,2-二氯乙烷 为溶剂， 20.0 ℃ 、379.22 kPa 条件下， 生成 1,1-dimethylethyl {(3R)-3-methyl-3-[(2-methylpropyl)amino]propyl}carbamate
  参考文献：
  名称：

  WO2006/116764

  摘要：

  公开号：

文献信息

• Polycyclic carbamoylpyridone derivative having hiv integrase inhibitory activity
  申请人：Johns Brian Alvin

  公开号：US20090318421A1

  公开（公告）日：2009-12-24

  The present invention is to provide a novel compound (I) shown below, having the anti-virus activity, particularly the HIV integrase inhibitory activity, and a drug containing the same, particularly an anti-HIV drug, as well as a process and an intermediate thereof. (wherein Z 1 is NR 4 ; R 1 is hydrogen or lower alkyl; X is a single bond, a hetero atom group selected from O, S, SO, SO 2 and NH, or lower alkylene or lower alkenylene in which the hetero atom group may intervene; R 2 is optionally substituted aryl; R 3 is hydrogen, a halogen, hydroxy, optionally substituted lower alkyl etc; and R 4 and Z 2 part taken together forms a ring, to form a polycyclic compound, including e.g., a tricyclic or tetracyclic compound.

  本发明提供了一种新型化合物(I)，如下所示，具有抗病毒活性，特别是HIV整合酶抑制活性，以及含有该化合物的药物，特别是抗HIV药物，以及其制备方法和中间体。(其中Z1为NR4;R1为氢或低碳基;X为单键，从O、S、SO、SO2和NH中选择的杂原子基团，或低碳基或低碳烯基，在其中杂原子基团可以介入;R2为可选取代芳基;R3为氢、卤素、羟基、可选取代的低碳基等;R4和Z2共同形成环，形成多环化合物，包括例如三环或四环化合物。
• Substituted 5-hydroxy-3,4,6,9,9a, 10-hexanhydro-2h-1-oxa04a,8a-diaza-anthracene-6,10-dioness
  申请人：Shionogi & Co., Ltd.

  公开号：US08129385B2

  公开（公告）日：2012-03-06

  The present invention is directed to a class of substituted 5-hydroxy-3,4,6,9,9a,10-hexahydro-2H-1-oxa-4a,8a-diaza-anthracene-6,10-diones useful as anti-HIV agents. The compounds have the formula: Z═O; R20, R21, R22, R23, R24 and R25 independently are hydrogen, C1-C8 alkyl, (C6-C14)aryl-(C1-C8)alkyl, C6-C14 aryl, or alkoxy; the stereochemistry of an asymmetric carbon represented by * shows R- or S-configuration, or a mixture thereof; RX is hydrogen; R14 is hydrogen or optionally substituted lower alkyl; R3 is hydrogen; R1 is hydrogen or lower alkyl; R is halogen; and m is 1, 2 or 3; or a pharmaceutically acceptable salt thereof.

  本发明涉及一类取代的5-羟基-3,4,6,9,9a,10-六氢-2H-1-氧杂-4a,8a-二氮蒽-6,10-二酮，可用作抗HIV剂。化合物的式子为：Z = O；R20，R21，R22，R23，R24和R25分别是氢，C1-C8烷基，(C6-C14)芳基-(C1-C8)烷基，C6-C14芳基或烷氧基；由*表示的不对称碳的立体化学构型显示为R-或S-构型，或其混合物；RX为氢；R14为氢或可选取代的低烷基；R3为氢；R1为氢或低烷基；R为卤素；m为1、2或3；或其药学上可接受的盐。
• POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY
  申请人：Johns Brian Alvin

  公开号：US20120115875A1

  公开（公告）日：2012-05-10

  The present invention is to provide a novel compound (I) shown below, having the anti-virus activity, particularly the HIV integrase inhibitory activity, and a drug containing the same, particularly an anti-HIV drug, as well as a process and an intermediate thereof. (wherein Z 1 is NR 4 ; R 1 is hydrogen or lower alkyl; X is a single bond, a hetero atom group selected from O, S, SO, SO 2 and NH, or lower alkylene or lower alkenylene in which the hetero atom group may intervene; R 2 is optionally substituted aryl; R 3 is hydrogen, a halogen, hydroxy, optionally substituted lower alkyl etc; and R 4 and Z 2 part taken together forms a ring, to form a polycyclic compound, including e.g., a tricyclic or tetracyclic compound.

  本发明提供了一种新型化合物（I），其具有抗病毒活性，特别是HIV整合酶抑制活性，以及含有该化合物的药物，特别是抗HIV药物，以及其制备方法和中间体。（其中Z1为NR4；R1为氢或低碳基；X为单键，从O、S、SO、SO2和NH中选择的杂原子基团，或低碳基或低碳烯基，其中杂原子基团可以介入；R2为可选取代芳基；R3为氢、卤素、羟基、可选取代的低碳基等；R4和Z2共同形成环，形成多环化合物，包括三环或四环化合物等。）
• Substituted 10-hydroxy-9,11-dioxo-2,3,4a,5,9,11,13,13a-octahydro-1h-pyrido[1,2-α]pyrrolo[1′,2′:3,4]imidazo[1,2-d]pyrazine-8-carboxamides
  申请人：Shionogi & Co., Ltd.

  公开号：US08778943B2

  公开（公告）日：2014-07-15

  The present invention is directed to a class of substituted 10-hydroxy-9,11-dioxo-2,3,4a,5,9,11,13,13a-octahydro-1H-pyrido[1,2-a]pyrrolo[1′,2′:3,4]imidazo[1,2-d]pyrazine-8-carboxamides useful as anti-HIV agents. The compounds have the formula (I-1-1): wherein ring A is an optionally substituted hexahydro-1H-pyrrolo[1,2-c]-imidazole; R14 and RX are independently hydrogen or optionally substituted lower alkyl; R3 is selected from various groups; R1 is hydrogen or lower alkyl; R is halogen; m is 0, 1, 2 or 3; or a pharmaceutically acceptable salt thereof.

  本发明涉及一类取代的10-羟基-9,11-二氧化-2,3,4a,5,9,11,13,13a-八氢-1H-吡啶[1,2-a]吡咯[1′,2′:3,4]咪唑[1,2-d]吡嗪-8-羧酰胺，用作抗HIV剂。化合物的式子为(I-1-1)：其中环A是可选的取代的六氢-1H-吡咯[1,2-c]-咪唑；R14和RX独立地为氢或可选的取代的低碳基；R3从各种基团中选择；R1为氢或低碳基；R为卤素；m为0、1、2或3；或其药学上可接受的盐。
• Substituted 10-hydroxy-9,11-dioxo-2,3,4a,5,9,11,13,13a-octahydro-1h-pyrido[1,2-a]pyrrolo[1′,2′:3,4]imidazo[1,2-d]pyrazine-8-carboxamides
  申请人：Shionogi & Co., Ltd.

  公开号：US09051337B2

  公开（公告）日：2015-06-09

  The present invention is to provide a novel compound (I) shown below, having the anti-virus activity; particularly the HIV integrase inhibitory activity, and a drug containing the same, particularly an anti-HIV drug, as well as a process and an intermediate thereof. (wherein Z1 is NR4; R1 is hydrogen or lower alkyl; X is a single bond, a hetero atom group selected from O, S, SO, SO2 and NH, or lower alkylene or lower alkenylene in which the hetero atom group may intervene; R2 is optionally substituted aryl; R3 is hydrogen, a halogen, hydroxy, optionally substituted lower alkyl etc; and R4 and Z2 part taken together forms a ring, to form a polycyclic compound, including e.g., a tricyclic or tetracyclic compound.

  本发明提供了一种新型化合物(I)，如下所示，具有抗病毒活性，特别是HIV整合酶抑制活性，以及包含该化合物的药物，特别是抗HIV药物，以及其制备方法和中间体。（其中Z1为NR4；R1为氢或低碳基；X为单键，从O，S，SO，SO2和NH中选择的杂原子基团，或杂原子基团可能介入的低碳基或低碳烯基；R2为可选取代芳基；R3为氢，卤素，羟基，可选取代的低碳基等；R4和Z2部分共同形成一个环，形成一个多环化合物，包括例如三环或四环化合物。）