1-异丙基-3-氮杂环庚胺 | 213627-38-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 中文名称: 1-异丙基-3-氮杂环庚胺
• 英文名称: 3-amino-1-isopropylhexahydroazepine
• 英文别名: 1-Propan-2-ylazepan-3-amine
• CAS: 213627-38-4
• 化学式: C₉H₂₀N₂
• 分子量: 156.271
• InChiKey: GPIJPFSTUQSPFN-UHFFFAOYSA-N

物化性质

• 沸点：
  189.9±8.0 °C(Predicted)
• 密度：
  0.893±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-甲氧基-1H-苯并三唑-5-羧酸 、 1-异丙基-3-氮杂环庚胺 在 N,N'-羰基二咪唑 作用下， 生成 6-methoxy-N-(1-propan-2-ylazepan-3-yl)-3H-benzotriazole-5-carboxamide
  参考文献：
  名称：

  A novel series of 6-methoxy-1H-benzotriazole-5-carboxamide derivatives with dual antiemetic and gastroprokinetic activities

  摘要：

  A novel series of 6-methoxy-1H-benzotriazole-5-carboxamide derivatives with a medium perhydroazacycle ring in the amine moiety were prepared, and their antiemetic and gastroprokinetic activities were evaluated. Among them, N-(1-ethylhexahydroazepin-3-yl)-, N-(1-ethyloctahydroazocin-3-yl)- and N-(1-ethyloctahydroazonin-3-yl)-6-methoxy-1H-benzotriazole-5-carboxamides (24, 36, 37) showed a potent antiemetic activity (inhibition of apomorphine-induced emesis in dogs) along with gastroprokinetic activity (gastric emptying in rats). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00341-2
• 作为产物：
  描述：

  DL-氨基己内酰胺 在 盐酸 、 sodium hydride 、 三乙胺 、 红铝 作用下， 以 四氢呋喃 、 氯仿 、 甲苯 为溶剂， 生成 1-异丙基-3-氮杂环庚胺
  参考文献：
  名称：

  对5-HT 3和多巴胺D 2受体具有高亲和力的一系列新的N-（六氢-1，4-二氮杂-6-6基）和N-（六氢氮杂-3-基）苯甲酰胺。

  摘要：

  制备了在胺部分具有六氢-1,4-二氮杂或六氢氮杂pine环的一系列新型苯甲酰胺，并评估了它们对5-HT3和多巴胺D2受体的结合亲和力。1-乙基-4-甲基六氢-1,4-二氮杂吡啶基苯甲酰胺（R）-22的R异构体对两种受体均具有强大的亲和力。相应的1-乙基六氢氮杂吡啶基苯甲酰胺28的R-对映异构体显示出对多巴胺D2受体的有效亲和力，而对5-HT3受体的亲和力降低，而S异构体是有效且选择性的5-HT3受体拮抗剂。

  DOI：

  10.1016/s0960-894x(98)00078-x

文献信息

• IMIDAZOPYRIMIDINE DERIVATIVES
  申请人：Gilead Sciences, Inc.

  公开号：US20200108071A1

  公开（公告）日：2020-04-09

  The present disclosure provides a compound of Formula (I): or a pharmaceutically acceptable salt thereof as described herein. The present disclosure also provides pharmaceutical compositions comprising a compound of Formula I, processes for preparing compounds of Formula I, therapeutic methods for treating cancers.

  本公开提供了一种如下式（I）的化合物： 或其药学上可接受的盐。本公开还提供了包含如下式I的化合物的药物组合物，制备如下式I的化合物的方法，以及治疗癌症的治疗方法。
• Imidazopyrimidine derivatives
  申请人：Gilead Sciences, Inc.

  公开号：US11179397B2

  公开（公告）日：2021-11-23

  The present disclosure provides a compound of Formula (I): or a pharmaceutically acceptable salt thereof as described herein. The present disclosure also provides pharmaceutical compositions comprising a compound of Formula I, processes for preparing compounds of Formula I, therapeutic methods for treating cancers.

  本公开提供式(I)的化合物：或如本文所述的药学上可接受的盐。本公开还提供了包含式I化合物的医药组合物、制备式I化合物的方法、以及用于治疗癌症的治疗方法。
• TRICYCLIC GYRASE INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20170369498A1

  公开（公告）日：2017-12-28

  Disclosed herein are compounds having the structure of Formula I and pharmaceutically suitable salts, esters, and prodrugs thereof that are useful as antibacterially effective tricyclic gyrase inhibitors. Related pharmaceutical compositions, uses and methods of making the compounds are also contemplated.
• [EN] IMIDOZOPYRIMIDINE DERIVATIVES<br/>[FR] DÉRIVÉS D'IMIDOZOPYRIMIDINE
  申请人：GILEAD SCIENCES INC

  公开号：WO2020072656A1

  公开（公告）日：2020-04-09

  The present disclosure provides a compound of Formula (I) or a pharmaceutically acceptable salt thereof as described herein. The present disclosure also provides pharmaceutical compositions comprising a compound of Formula (I), processes for preparing compounds of Formula (I), therapeutic methods for treating cancers.
• [EN] ANTIMICROBIAL COMPOUNDS AND METHODS<br/>[FR] COMPOSÉS ANTIMICROBIENS ET PROCÉDÉS
  申请人：CURZA GLOBAL LLC

  公开号：WO2020150385A1

  公开（公告）日：2020-07-23

  The invention is directed to compounds that are active as antibacterial agents. The invention compounds are active against gram-positive and gram-negative bacteria and can be used to treat infections caused by gram-positive and gram-negative bacteria. Also disclosed are processes and intermediates for making the compounds.