(4aR,8aR)-十氢异喹啉 | 947767-62-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: (4aR,8aR)-十氢异喹啉
• 英文名称: cis-Decahydroisochinolin
• 英文别名: (4aR,8aR)-decahydroisoquinoline；(4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
• CAS: 947767-62-6
• 化学式: C₉H₁₇N
• 分子量: 139.241
• InChiKey: NENLYAQPNATJSU-BDAKNGLRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (4aR,8aR)-十氢异喹啉 在 N-氯代丁二酰亚胺 作用下， 反应 0.5h， 生成
  参考文献：
  名称：

  使用烷基胺的芳烃的实际和区域选择性胺化。

  摘要：

  用于制备芳香胺的碳-氮键的形成是全球范围内为生产高价值材料而进行的前五项反应之一，从原料化学品到药物和聚合物不等。由于这种普遍性和多样性，其制备方法影响了学术界和工业界的整个化学合成过程。通常，这些分子是通过逐步引入反应性手柄代替芳香族CH键（即硝基，卤素或硼酸）和随后的功能化或交叉偶联而组装而成的。在这里，我们表明，芳烃胺可以使用光催化作用，通过芳烃和烷基胺的直接反应来构建，而无需进行预功能化。该过程可以轻松准备高级构建基块，容忍的功能范围很广，并且可以通过批处理流协议来实现多克规模。通过对几种药物，农药，肽，手性催化剂，聚合物和有机金属配合物的修饰，证明了该策略作为后期功能化平台的优点。

  DOI：

  10.1038/s41557-019-0254-5
• 作为产物：
  描述：

  异喹啉 以7%的产率得到
  参考文献：
  名称：

  VIERHAPPER F. W.; ELIEL E. L., J. ORG. CHEM. , 1975, 40, NO 19, 2729-2734

  摘要：

  DOI：

文献信息

• [EN] PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION<br/>[FR] DÉRIVÉS D'ACIDE PYRIDIN-3-YL ACÉTIQUE COMME INHIBITEURS DE LA RÉPLICATION DU VIRUS DE L'IMMUNODÉFICIENCE HUMAINE
  申请人：VIIV HEALTHCARE UK (NO 5) LTD

  公开号：WO2017025864A1

  公开（公告）日：2017-02-16

  Disclosed are compounds of Formula (I), including pharmaceutically acceptable salts, pharmaceutical compositions comprising the compounds, methods for making the compounds and their use in inhibiting HIV integrase and treating those infected with HIV or AIDS. In the compounds of formula (I), R1 is selected from H, alkyl, haloalkyl, hydroxyalkyl, alkoxyalkyl, (alkoxy)alkoxyalkyl, or (R6)alkyl; R2 is phenyl substituted with 1 R7 substituent and with 0-3 substituents selected from halo, alkyl, haloalkyl, alkoxy, and haloalkoxy; or R2 is selected from tetrahydroisoquinolinyl, ((Ar1)alkyl)tetrahydroisoquinolinyl, or ((N-alkoxycarbonyl)tetrahydroisoquinolinyl; R3 is is selected from tetrahydroisoquinolinyl or decahydroisoquinolinyl and is substituted with 0-3 substituents selected from halo, alkyl, and haloalkyl; or R3 is a [5-7.3-7.0-2] fused or bridged bicyclic amine and is substituted with 0-3 alkyl substituents; or R3 is selected from azetidinyl, pyrrolidinyl, piperidinyl, or homopiperidinyl and contains a spirocyclic moiety wherein the spirocyclic moiety, including the carbon atom to which it is attached, forms C3-7 cycloalkane, tetrahydrofuranyl, tetrahydropyranyl, pyrrolidinyl, N-alkylpyrrolidinyl, piperidinyl, N-alkylpiperidinyl, homopiperidinyl, or N-alkylpiperidinyl, and wherein the spirocyclic moiety is substituted with 0-3 halo or alkyl substituents; R4 is selected from alkyl or haloalkyl; R5 is selected from H, alkyl, haloalkyl, hydroxyalkyl, alkoxyalkyl, (alkoxy)alkoxyalkyl, or (R6)alkyl; R6is selected from (oxetanyl)oxy, ((oxetanyl)alkoxy)alkyl, (tetrahydropyranyloxy)alkyl, (tetrahydropyranyl)alkoxy)alkyl, or (Rg)(R9)N; R7 is selected from (Ar1)alkoxy or ((Ar1)alkyl)HNCO; R8 is selected from hydrogen, alkyl, (cycloalkyl)alkyl, alkoxyalkyl, (tetrahydropyanyl)alkyl, tetrahydropyanyl, or alkoxyphenyl; R9 is selected from hydrogen or alkyl; or (R8)(R9)N taken together is selected from azetidinyl, pyrrolidinyl, piperidinyl, (spirocyclobutyl)piperidinyl, piperazinyl, or morpholinyl; and Ar1 is phenyl substituted with 0-3 substituents selected from halo, alkyl, haloalkyl, alkoxy, and haloalkoxy.

  化合物的结构式（I）包括药学上可接受的盐，包含这些化合物的药物组合物，制备这些化合物的方法以及它们在抑制HIV整合酶和治疗HIV或艾滋病感染者中的用途。在结构式（I）的化合物中，R1从H，烷基，卤代烷基，羟基烷基，烷氧基烷基，（烷氧基）烷氧基烷基或（R6）烷基中选择；R2是苯基，其上取代有1个R7取代基，以及从卤素，烷基，卤代烷基，烷氧基和卤代烷氧基中选择0-3个取代基；或者R2从四氢异喹啉基，（（Ar1）烷基）四氢异喹啉基，或（（N-烷氧羰基）四氢异喹啉基中选择；R3从四氢异喹啉基或十氢异喹啉基中选择，并取代有从卤素，烷基和卤代烷基中选择的0-3个取代基；或者R3是[5-7.3-7.0-2]融合或桥接的双环胺基，并取代有0-3个烷基取代基；或者R3从氮杂环丙烷基，吡咯啉基，哌啶基，或异哌啶基中选择，并含有一个螺环结构基团，其中螺环结构基团，包括与其相连的碳原子，形成C3-7环烷烃，四氢呋喃基，四氢吡喃基，吡咯啉基，N-烷基吡咯啉基，哌啶基，N-烷基哌啶基，异哌啶基，或N-烷基哌啶基，并且螺环结构基团取代有0-3个卤素或烷基取代基；R4从烷基或卤代烷基中选择；R5从H，烷基，卤代烷基，羟基烷基，烷氧基烷基，（烷氧基）烷氧基烷基或（R6）烷基中选择；R6从（氧杂环丙烷基）氧，（（氧杂环丙烷基）烷氧基）烷基，（四氢吡喃氧基）烷基，（四氢吡喃基）烷氧基）烷基，或（Rg）（R9）N中选择；R7从（Ar1）烷氧基或（（Ar1）烷基）HNCO中选择；R8从氢，烷基，（环烷基）烷基，烷氧基烷基，（四氢吡啶基）烷基，四氢吡啶基，或烷氧基苯基中选择；R9从氢或烷基中选择；或者（R8）（R9）N共同选择自氮杂环丙烷基，吡咯啉基，哌啶基，（螺环丁基）哌啶基，哌嗪基，或吗啉基；Ar1是苯基，其上取代有从卤素，烷基，卤代烷基，烷氧基和卤代烷氧基中选择的0-3个取代基。
• THIENOPYRIDINE DERIVATIVES
  申请人：Sankyo Company, Limited

  公开号：EP1764367A1

  公开（公告）日：2007-03-21

  The present invention provides a compound promoting osteogenesis. The present invention provides a compound having the following general formula (I) wherein R1 is H or alkyl, R2 is RaS-, RaO-, RaNH-, Ra(Rb)N- or cyclic amino, and Ra and Rb are alkyl which may be substituted, cycloalkyl which may be substituted, or the like, or a pharmacologically acceptable salt thereof.

  本发明提供一种促进成骨的化合物。本发明提供具有以下一般式（I）的化合物 其中R1为H或烷基， R2为RaS-、RaO-、RaNH-、Ra(Rb)N-或环状氨基，且 Ra和Rb为可以被取代的烷基、可以被取代的环烷基等，或其药理学上可接受的盐。
• 1,2,4 -TRIAZOLO 1,5-c PYRIMIDINE DERIVATIVE
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1544200A1

  公开（公告）日：2005-06-22

  The present invention provides [1,2,4]triazolo[1,5-c]pyrimidine derivatives or pharmaceutically acceptable salts thereof which have adenosine A2A receptor antagonism and are useful for treating and/or preventing a disease induced by hyperactivity of an adenosine A2A receptor, the derivatives being represented by formula (I): (wherein R1 represents substituted or unsubstituted aryl or a substituted or unsubstituted aromatic heterocyclic group; R2 represents a hydrogen atom, halogen, lower alkyl, lower alkanoyl, aroyl, substituted or unsubstituted aryl, or a substituted or unsubstituted aromatic heterocyclic group; R3 represents lower alkyl, lower cycloalkyl, substituted or unsubstituted lower alkanoyl, substituted or unsubstituted aryl, or a substituted or unsubstituted aromatic heterocyclic group; and Q represents a hydrogen atom or 3,4-dimethoxybenzyl).

  本发明提供了[1,2,4]三唑并[1,5-c]嘧啶衍生物或其药学上可接受的盐，该衍生物具有腺苷A2A受体拮抗作用，可用于治疗和/或预防由腺苷A2A受体活性过高引起的疾病，其衍生物由以下通式(I)表示：(其中R1代表取代或未取代的芳基或取代或未取代的芳香杂环基团；R2代表氢原子、卤素、低级烷基、低级烷酰基、芳酰基、取代或未取代的芳基或取代或未取代的芳香杂环基团；R3代表低级烷基、低级环烷基、取代或未取代的低级烷酰基、取代或未取代的芳基或取代或未取代的芳香杂环基团；Q代表氢原子或3,4-二甲氧基苄基)。
• NOVEL COMPOUNDS
  申请人：Gottschling Dirk

  公开号：US20110195954A1

  公开（公告）日：2011-08-11

  The present invention relates to new CGRP-antagonists of general formula I wherein U, V, X, Y, R 1 , R 2 , R 3 and R 4 are defined as mentioned in the description, the tautomers thereof, the isomers thereof, the diastereomers thereof, the enantiomers thereof, the hydrates thereof, the mixtures thereof and the salts thereof as well as the hydrates of the salts, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases, medicaments containing these compounds, the use thereof and processes for the preparation thereof.

  本发明涉及一般式I的新CGRP拮抗剂，其中U、V、X、Y、R1、R2、R3和R4如描述中所述定义，其互变异构体、异构体、顺反异构体、对映异构体、水合物、混合物及其盐，以及其盐的水合物，特别是与无机或有机酸或碱形成的生理上可接受的盐，包含这些化合物的药物、其用途以及其制备方法。
• [EN] 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10<br/>[FR] ANTAGONISTES DE 2-SULFONYLAMINO-4-HÉTÉROARYL BUTYRAMIDE DE CCR10
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2009126675A1

  公开（公告）日：2009-10-15

  This invention relates to a compound of formula (I) and the pharmaceutically acceptable salts thereof wherein R1, R2, R4. Ar and Het are as defined herein. The invention also relates to methods of using the compound of formula (I) to treat a diseases and disorders that are mediated or sustained through the activity of CCR10.

  本发明涉及一种具有式（I）的化合物及其药学上可接受的盐，其中R1、R2、R4、Ar和Het如本文中所定义。该发明还涉及使用式（I）的化合物治疗通过CCR10活性介导或维持的疾病和紊乱的方法。