N,N'-di-Boc-N''-triflyguanidine | 862719-22-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 英文名称: N,N'-di-Boc-N''-triflyguanidine
• 英文别名: {[(z)-Tert-butoxycarbonylimino]-trifluoromethanesulfonyl-methyl}-carbamic acid tert-butyl ester；tert-butyl N-[[(2-methylpropan-2-yl)oxycarbonylamino]-(trifluoromethylsulfonyl)methylidene]carbamate
• CAS: 862719-22-0
• 化学式: C₁₂H₁₉F₃N₂O₆S
• 分子量: 376.354
• InChiKey: OLFCXWOSYWLVSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  120
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  N,N'-di-Boc-N''-triflyguanidine 、 1-aminomethyl-3,5-bis(azidomethyl)benzene 在 N,N-二异丙基乙胺 作用下， 以 甲醇 为溶剂， 反应 16.0h， 以83%的产率得到1,3-bis(azidomethyl)-5-(N,N’-bis(tert-butoxycarbonyl)guanidinomethyl)benzene
  参考文献：
  名称：

  选择性四链-双链结配体的从头设计及其结合模式的结构表征：针对G4热点

  摘要：

  小分子靶向DNA四链体和双链体区域之间的界面在治疗学和纳米技术中都具有重大前景。本文报道了一种新的药效基团，它以高亲和力选择性结合四链体-双链体连接，而对单独的G-四链体或双链体DNA的亲和力较弱。符合报道的药效基团的配体对四链体-双链体连接具有显着的亲和力和选择性，包​​括在HIV-1 LTR-III序列中观察到的亲和力和选择性。四联体-双联体连接与该家族的配体之间的复合物的结构已通过NMR方法确定。根据这些数据，通过迄今为止在药物和生物化学中尚未开发的前所未有的相互作用模式，实现了这种结构基序对四链体-双链体连接的显着选择性：将苄基铵部分插入到部分暴露的G-tetrad中心，与双工。所述支架的进一步修饰以及其他片段为基因组G-四链体形成区域的选择性配体的开发开辟了道路。

  DOI：

  10.1002/chem.202005026

文献信息

• [EN] IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION<br/>[FR] IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES UTILISES EN TANT QU'AGENTS INHIBITEURS DE LA PROLIFERATION CELLULAIRE
  申请人：ASTRAZENECA AB

  公开号：WO2005075461A1

  公开（公告）日：2005-08-18

  Compounds of the formula (I), wherein variable groups are as defined within and a pharmaceutically acceptable salts and in vivo hydrolysable esters are described. Also described are processes for their preparation and their use as medicaments, particularly medicaments for producing a cell cycle inhibitory (anti cell proliferation) effect in a warm blooded animal, such as man.

  化合物的公式（I），其中变量基团的定义如内部，并描述了药用盐和体内可水解酯。还描述了它们的制备过程以及它们作为药物的用途，特别是作为用于在温血动物（如人）中产生细胞周期抑制（抗细胞增殖）效果的药物。
• Chemical compounds
  申请人：Andrews Michael David

  公开号：US20070161615A1

  公开（公告）日：2007-07-12

  Compounds of the formula (I), wherein variable groups are as defined within and a pharmaceutically acceptable salts and in vivo hydrolysable esters are described. Also described are processes for their preparation and their use as medicaments, particularly medicaments for producing a cell cycle inhibitory (anti cell proliferation) effect in a warm blooded animal, such as man.

  本文描述了公式（I）的化合物，其中变量基团的定义如内部所述，并描述了药学上可接受的盐和体内可水解的酯。还描述了它们的制备过程以及它们作为药物的用途，特别是作为产生细胞周期抑制（抗细胞增殖）效果的药物，用于温血动物，如人类。
• Imidazolo-5-yl-2-anilinopyrimidines as agents for the inhibition of cell proliferation
  申请人：AstraZeneca AB

  公开号：US07655652B2

  公开（公告）日：2010-02-02

  Compounds of the formula (I), wherein variable groups are as defined within and a pharmaceutically acceptable salts and in vivo hydrolysable esters are described. Also described are processes for their preparation and their use as medicaments, particularly medicaments for producing a cell cycle inhibitory (anti cell proliferation) effect in a warm blooded animal, such as man.

  本文描述了公式（I）的化合物，其中可变的基团在定义范围内，并且是药学上可接受的盐和体内可水解的酯。还描述了它们的制备过程以及它们作为药物的用途，特别是作为用于在温血动物（如人）中产生细胞周期抑制（抗细胞增殖）效果的药物。
• Novel convenient synthesis of biologically active esters of hydroxylamine
  作者：Maxim A. Khomutov、Swati Mandal、Janne Weisell、Neiha Saxena、Alina R. Simonian、Jouko Vepsalainen、Rentala Madhubala、Sergey N. Kochetkov

  DOI：10.1007/s00726-009-0410-0

  日期：2010.2

  Alkylation of ethyl N-hydroxyacetimidate with readily available methanesulfonates of functionally substituted alcohols and subsequent deprotection of aminooxy group is a novel and convenient method to prepare functionally substituted esters of hydroxylamine with high overall yield. This approach is a good alternative to well-known reaction of N-hydroxyphthalimide with alcohols under the Mitsunobu conditions. The properties of ethoxyethylidene protection of aminooxy group on the contrary to that of N-alkoxyphthalimide group allow to perform a wide spectra of the transformations in the radical of N-protected hydroxylamine derivatives. This is essential for synthetic strategies consisting in the introduction of N-protected aminooxy group at one of the first steps of synthesis and subsequent transformations of the radical.The inhibitory effect of one of the newly synthesized compound, 1-guanidinooxy-3-aminopropane (GAPA), was compared with that of well-known inhibitors of ornithine decarboxylase namely, alpha-difluoromethylornithine (DFMO) and 1-aminooxy-3-aminopropane (APA) on Leishmania donovani, a protozoan parasite that causes visceral leishmaniasis. GAPA, on the contrary with APA and DFMO, in micromolar concentrations, inhibited the growth of both amastigotes and promastigotes of sodium antimony gluconate-resistant forms of L. donovani.
• US7655652B2
  申请人：——

  公开号：US7655652B2

  公开（公告）日：2010-02-02