1-aza-4-azoniabicyclo[2.2.2]octan-4-ylsulfonyl(tert-butoxycarbonyl)azanido 1,4-diazabicyclo[2.2.2]octane monohydrochloride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1-aza-4-azoniabicyclo[2.2.2]octan-4-ylsulfonyl(tert-butoxycarbonyl)azanido 1,4-diazabicyclo[2.2.2]octane monohydrochloride
• 英文别名: 4-aza-1-azoniabicyclo[2.2.2]octane;N-(4-aza-1-azoniabicyclo[2.2.2]octan-1-ylsulfonyl)-1-[(2-methylpropan-2-yl)oxy]methanimidate;chloride
• 化学式: C₆H₁₂N₂*C₁₁H₂₁N₃O₄S*ClH
• 分子量: 440.007
• InChiKey: XUOBRPCZSCIKCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -5.89
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  98.1
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  苯基乙二醇 、 1-aza-4-azoniabicyclo[2.2.2]octan-4-ylsulfonyl(tert-butoxycarbonyl)azanido 1,4-diazabicyclo[2.2.2]octane monohydrochloride 在 盐酸 作用下， 以 乙腈 、 1,4-二氧六环 为溶剂， 反应 8.03h， 生成 2-hydroxy-2-phenylethyl (tert-butoxycarbonyl)sulfamate
  参考文献：
  名称：

  N-(tert-Butoxycarbonyl)-N-[(triethylenediammonium)sulfonyl]azanide: A Convenient Sulfamoylation Reagent for Alcohols

  摘要：

  A convenient and efficient procedure is described for the sulfamoylation of alcohols using N-(tertbutoxycarbonyl)-N-[(triethylenediammonium)sulfonyl]azanide (1). The ambient temperature stable reagent 1 reacts with phenols as well as primary and secondary alcohols to give high to modest yields. The relative reaction rate of substrates was determined (primary > phenol > secondary tertiary). The reagent's utility as a selective sulfamoylation reagent with polyols is also demonstrated.

  DOI：

  10.1021/ol3009683
• 作为产物：
  描述：

  三乙烯二胺 、 氯磺酰异氰酸酯 、 叔丁醇 以 甲苯 为溶剂， 反应 13.33h， 以132.9 kg的产率得到1-aza-4-azoniabicyclo[2.2.2]octan-4-ylsulfonyl(tert-butoxycarbonyl)azanido 1,4-diazabicyclo[2.2.2]octane monohydrochloride
  参考文献：
  名称：

  [EN] INHIBITORS OF NEDD8-ACTIVATING ENZYME
  [FR] INHIBITEURS DE L'ENZYME ACTIVANT NEDD8

  摘要：

  公开号：

  WO2013028832A3
• 作为试剂：
  描述：

  1,2-丁二醇 在 盐酸 、 1-aza-4-azoniabicyclo[2.2.2]octan-4-ylsulfonyl(tert-butoxycarbonyl)azanido 1,4-diazabicyclo[2.2.2]octane monohydrochloride 作用下， 以 1,4-二氧六环 、 乙腈 、 水 为溶剂， 反应 1.0h， 生成 2-hydroxybutyl sulfamate 、 butane-1,2-diyl disulfamate
  参考文献：
  名称：

  N-(tert-Butoxycarbonyl)-N-[(triethylenediammonium)sulfonyl]azanide: A Convenient Sulfamoylation Reagent for Alcohols

  摘要：

  A convenient and efficient procedure is described for the sulfamoylation of alcohols using N-(tertbutoxycarbonyl)-N-[(triethylenediammonium)sulfonyl]azanide (1). The ambient temperature stable reagent 1 reacts with phenols as well as primary and secondary alcohols to give high to modest yields. The relative reaction rate of substrates was determined (primary > phenol > secondary tertiary). The reagent's utility as a selective sulfamoylation reagent with polyols is also demonstrated.

  DOI：

  10.1021/ol3009683

文献信息

• NOVEL PYRROLOPYRIMIDINE COMPOUND OR SALT THEREOF, PHARMACEUTICAL COMPOSITION CONTAINING SAME, ESPECIALLY AGENT FOR PREVENTION AND/OR TREATMENT OF TUMORS ETC BASED ON NAE INHIBITORY EFFECT
  申请人：TAIHO PHARMACEUTICAL CO., LTD.

  公开号：US20170066772A1

  公开（公告）日：2017-03-09

  An object to be solved by the present invention is to provide a novel pyrrolopyrimidine compound or a salt thereof having an NAE inhibitory action and a cell growth inhibitory effect. The present invention provides a compound or a salt thereof represented by Formula (A), as well as an NAE inhibitor, a pharmaceutical composition, and an antitumor agent comprising the compound or a salt thereof as an active ingredient.

  本发明要解决的问题是提供一种具有NAE抑制作用和细胞生长抑制作用的新型吡咯吡嘧啶化合物或其盐。本发明提供了由化学式（A）表示的化合物或其盐，以及一种NAE抑制剂、含有该化合物或其盐作为活性成分的药物组合物和抗肿瘤剂。
• HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US20160009744A1

  公开（公告）日：2016-01-14

  Disclosed are chemical entities which are compounds of formula (I): or pharmaceutically acceptable salts thereof; wherein Y, R a , R a′ , R b , R c , X 1 , X 2 , X 3 , R d , Z 1 , and Z 2 have the values described herein and stereochemical configurations depicted at asterisked positions indicate absolute stereochemistry. Chemical entities according to the disclosure can be useful as inhibitors of Sumo Activating Enzyme (SAE). Further provided are pharmaceutical compositions comprising a compound of the disclosure and methods of using the compositions in the treatment of proliferative, inflammatory, cardiovascular, and neurodegenerative diseases or disorders.

  本发明涉及化学实体，其为以下式（I）的化合物或其药学上可接受的盐；其中，Y、Ra、Ra′、Rb、Rc、X1、X2、X3、Rd、Z1和Z2具有本文所述的值，并在星号位置描绘的立体化学构型表示绝对立体化学。根据本发明的化学实体可用作Sumo激活酶（SAE）的抑制剂。进一步提供了包括本发明化合物的制药组合物以及使用这些组合物治疗增生性、炎症性、心血管和神经退行性疾病或疾患的方法。
• EP3395345
  申请人：——

  公开号：——

  公开（公告）日：——
• <i>N</i>-(<i>tert</i>-Butoxycarbonyl)-<i>N</i>-[(triethylenediammonium)sulfonyl]azanide: A Convenient Sulfamoylation Reagent for Alcohols
  作者：Ian Armitage、Alexander M. Berne、Eric L. Elliott、Mingkun Fu、Frederick Hicks、Quentin McCubbin、Lei Zhu

  DOI：10.1021/ol3009683

  日期：2012.5.18

  A convenient and efficient procedure is described for the sulfamoylation of alcohols using N-(tertbutoxycarbonyl)-N-[(triethylenediammonium)sulfonyl]azanide (1). The ambient temperature stable reagent 1 reacts with phenols as well as primary and secondary alcohols to give high to modest yields. The relative reaction rate of substrates was determined (primary > phenol > secondary tertiary). The reagent's utility as a selective sulfamoylation reagent with polyols is also demonstrated.
• [EN] INHIBITORS OF NEDD8-ACTIVATING ENZYME<br/>[FR] INHIBITEURS DE L'ENZYME ACTIVANT NEDD8
  申请人：MILLENNIUM PHARM INC

  公开号：WO2013028832A3

  公开（公告）日：2013-05-02