7-溴-1,2,3,4-四氢-2-萘胺 | 885280-71-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 中文名称: 7-溴-1,2,3,4-四氢-2-萘胺
• 中文别名: 聚(氧代-1,4-丁二基),a-(1-羰基-2-丙烯-1-基)-w-[(1-羰基-2-丙烯-1-基)氧代]-
• 英文名称: 7-bromo-1,2,3,4-tetrahydro-naphthalen-2-ylamine
• 英文别名: 7-bromo-1,2,3,4-tetrahydronaphthalen-2-ylamine；7-Bromo-1,2,3,4-tetrahydronaphthalen-2-amine
• CAS: 885280-71-7
• 化学式: C₁₀H₁₂BrN
• 分子量: 226.116
• InChiKey: PNTPMWBRGXAFII-UHFFFAOYSA-N

物化性质

• 沸点：
  298.7±40.0 °C(Predicted)
• 密度：
  1.413±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921450090

反应信息

• 作为反应物：
  描述：

  7-溴-1,2,3,4-四氢-2-萘胺 在 1,3-双(二苯基膦)丙烷 、 palladium diacetate 三乙胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 14.0h， 生成 methyl 3-(tert-butoxycarbonylamino)tetralin-6-carboxylate
  参考文献：
  名称：

  NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER

  摘要：

  本发明提供了式（I）的化合物或其药学上可接受的盐、酯或立体异构体，其中R1至R3和X具有本文中给出的含义。本发明还涉及制备所述化合物的方法和所述化合物的用途，特别是它们作为药物的用途，更具体地说是它们作为治疗癌症的药物的用途。

  公开号：

  US20120065204A1
• 作为产物：
  描述：

  7-溴-3,4-二氢-1H-2-萘酮 在 ammonium acetate 、 sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 生成 7-溴-1,2,3,4-四氢-2-萘胺
  参考文献：
  名称：

  [EN] NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER
  [FR] NOUVEAUX N-HYDROXY-BENZAMIDES DESTINÉS AU TRAITEMENT DU CANCER

  摘要：

  本发明提供了式（I）的化合物或其药用可接受的盐、酯或立体异构体，其中R1至R3和X具有本文中给出的含义。本发明还涉及制备所述化合物的方法和所述化合物的用途，特别是它们作为药物的用途，更具体地说是它们作为治疗癌症的药物的用途。

  公开号：

  WO2012031993A1

文献信息

• NOVEL N-HYDROXY-BENZAMIDS FOR THE TREATMENT OF CANCER
  申请人：Guo Lei

  公开号：US20120065204A1

  公开（公告）日：2012-03-15

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt, ester or stereoisomer thereof, wherein R 1 to R 3 and X have the significances given herein. The present invention is also directed to processes for making said compounds and uses of said compounds, in particular their use as medicaments, more particularly their use as medicaments in the treatment of cancer.

  本发明提供了式（I）的化合物或其药学上可接受的盐、酯或立体异构体，其中R1至R3和X具有本文中给出的含义。本发明还涉及制备所述化合物的方法和所述化合物的用途，特别是它们作为药物的用途，更具体地说是它们作为治疗癌症的药物的用途。
• [EN] NOVEL N-HYDROXY-BENZAMIDES FOR THE TREATMENT OF CANCER<br/>[FR] NOUVEAUX N-HYDROXY-BENZAMIDES DESTINÉS AU TRAITEMENT DU CANCER
  申请人：HOFFMANN LA ROCHE

  公开号：WO2012031993A1

  公开（公告）日：2012-03-15

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt, ester or stereoisomer thereof, wherein R1 to R3 and X have the significances given herein. The present invention is also directed to processes for making said compounds and uses of said compounds, in particular their use as medicaments, more particularly their use as medicaments in the treatment of cancer.

  本发明提供了式（I）的化合物或其药用可接受的盐、酯或立体异构体，其中R1至R3和X具有本文中给出的含义。本发明还涉及制备所述化合物的方法和所述化合物的用途，特别是它们作为药物的用途，更具体地说是它们作为治疗癌症的药物的用途。
• N-hydroxy-benzamids for the treatment of cancer
  申请人：Guo Lei

  公开号：US08716285B2

  公开（公告）日：2014-05-06

  The present invention provides a compound of formula (I) or a pharmaceutically acceptable salt, ester or stereoisomer thereof, wherein R1 to R3 and X have the significances given herein. The present invention is also directed to processes for making said compounds and uses of said compounds, in particular their use as medicaments, more particularly their use as medicaments in the treatment of cancer.

  本发明提供了化合物(I)的公式或其药学上可接受的盐、酯或立体异构体，其中R1至R3和X具有此处给出的含义。本发明还涉及制备所述化合物的过程以及所述化合物的用途，特别是作为药物的用途，更特别地作为治疗癌症的药物的用途。
• Tetrahydro-2-naphthyl and 2-Indanyl Triazolopyrimidines Targeting <i>Plasmodium falciparum</i> Dihydroorotate Dehydrogenase Display Potent and Selective Antimalarial Activity
  作者：Sreekanth Kokkonda、Xiaoyi Deng、Karen L. White、Jose M. Coteron、Maria Marco、Laura de las Heras、John White、Farah El Mazouni、Diana R. Tomchick、Krishne Manjalanagara、Kakali Rani Rudra、Gong Chen、Julia Morizzi、Eileen Ryan、Werner Kaminsky、Didier Leroy、María Santos Martínez-Martínez、Maria Belen Jimenez-Diaz、Santiago Ferrer Bazaga、Iñigo Angulo-Barturen、David Waterson、Jeremy N. Burrows、Dave Matthews、Susan A. Charman、Margaret A. Phillips、Pradipsinh K. Rathod

  DOI：10.1021/acs.jmedchem.6b00275

  日期：2016.6.9

  Malaria persists as one of the most devastating global infectious diseases. The pyrimidine biosynthetic enzyme dihydroorotate dehydrogenase (DHODH) has been identified as a new malaria drug target, and a triazolopyrimidine-based DHODH inhibitor I (DSM265) is in clinical development. We sought to identify compounds with higher potency against Plasmodium DHODH while showing greater selectivity toward animal DHODHs. Herein we describe a series of novel triazolopyrimidines wherein the p-SF5-aniline was replaced with substituted 1,2,3,4-tetrahydro-2-naphthyl or 2-indanyl amines. These compounds showed strong species selectivity, and several highly potent tetrahydro-2-naphthyl derivatives were identified. Compounds with halogen substitutions displayed sustained plasma levels after oral dosing in rodents leading to efficacy in the P. falciparum SCID mouse malaria model. These data suggest that tetrahydro-2-naphthyl derivatives have the potential to be efficacious for the treatment of malaria, but due to higher metabolic clearance than 1, they most likely would need to be part of a multidose regimen.
• ARYL SUBSTITUTED CYCLIC AMINES AS SELECTIVE DOPAMINE D3 LIGANDS
  申请人：PHARMACIA & UPJOHN COMPANY

  公开号：EP0923542A1

  公开（公告）日：1999-06-23