2-氯-4,6-二甲氧基-嘧啶-5-胺 | 444151-94-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-氯-4,6-二甲氧基-嘧啶-5-胺
• 英文名称: 2-chloro-4,6-dimethoxy-5-Pyrimidinamine
• 英文别名: 2-chloro-4,6-dimethoxypyrimidin-5-amine
• CAS: 444151-94-4
• 化学式: C₆H₈ClN₃O₂
• mdl: MFCD09908002
• 分子量: 189.601
• InChiKey: LKRMQCPKYCVJAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  70.3
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  2-氯-4,6-二甲氧基-嘧啶-5-胺 在 吡啶 、 氯化亚砜 、 potassium [¹⁸F]fluoride 、 4,7,13,16,21,24-六氧-1,10-二氮双环[8.8.8]二十六烷 作用下， 以 二氯甲烷 、 二甲基亚砜 为溶剂， 生成 N-(2-(18F)fluoranyl-4,6-dimethoxypyrimidin-5-yl)-5-[(3,3,6-trimethyl-1,2-dihydroinden-5-yl)oxy]furan-2-carboxamide
  参考文献：
  名称：

  [EN] RADIOLABELED GNRH ANTAGONISTS AS PET IMAGING AGENTS
  [FR] ANTAGONISTES DE LA GONADOTROPHINE (GNRH) RADIOMARQUÉS UTILISÉS COMME AGENTS D'IMAGERIE PAR TOMOGRAPHIE PAR ÉMISSION DE POSITRONS (TEP)

  摘要：

  公开号：

  WO2014184682A9
• 作为产物：
  描述：

  2-氯-4,6-二甲氧基嘧啶 在 三氟甲磺酸酐 、 四甲基硝酸铵 、 铁粉 、 氯化铵 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 2-氯-4,6-二甲氧基-嘧啶-5-胺
  参考文献：
  名称：

  [EN] RADIOLABELED GNRH ANTAGONISTS AS PET IMAGING AGENTS
  [FR] ANTAGONISTES DE LA GONADOTROPHINE (GNRH) RADIOMARQUÉS UTILISÉS COMME AGENTS D'IMAGERIE PAR TOMOGRAPHIE PAR ÉMISSION DE POSITRONS (TEP)

  摘要：

  公开号：

  WO2014184682A9

文献信息

• Synthesis and in vitro evaluation of small-molecule [18F] labeled gonadotropin-releasing hormone (GnRH) receptor antagonists as potential PET imaging agents for GnRH receptor expression
  作者：Dag Erlend Olberg、Kjetil Wessel Andressen、Finn Olav Levy、Jo Klaveness、Ira Haraldsen、Julie L. Sutcliffe

  DOI：10.1016/j.bmcl.2014.02.002

  日期：2014.4

  Two novel small molecule gonadotropin-releasing hormone (GnRH) receptor antagonists (12 and 13) of the furamide-class were synthesized and evaluated in vitro for their receptor binding affinities for the rat GnRH receptor. Radiolabeling with no carrier added fluorine-18 of the appropriate precursors was investigated in a one-step reaction. LogP (Octanol/PBS pH 7.4) and serum stability of the compounds were investigated. The antagonists showed low nM affinity for the rat GnRH receptor. F-18-radiolabled compounds were obtained in high radiochemical purity (> 95%) and specific activity (> 75 GBq/mu mol). These findings suggest this class of compounds holds promise as potential probes for PET targeting of GnRHreceptor expression. (c) 2014 Elsevier Ltd. All rights reserved.
• NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM
  申请人：Agouron Pharmaceuticals, Inc.

  公开号：EP1401427A2

  公开（公告）日：2004-03-31
• EP1401427A4
  申请人：——

  公开号：EP1401427A4

  公开（公告）日：2004-12-01
• RADIOLABELED GNRH ANTAGONISTS AS PET IMAGING AGENTS
  申请人：OSLO UNIVERSITETSSYKEHUS HF

  公开号：US20160058895A1

  公开（公告）日：2016-03-03

  Provided herein is technology relating to imaging agents for positron emission tomography (PET) and particularly, but not exclusively, to a gonadotropin-releasing hormone (GnRH) antagonist radiolabeled with positron emitting nuclides and to methods of visualizing GnRH receptors in the central nervous system by PET from administration of such compounds to warm-blooded animals for diagnostic purposes.
• [EN] NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE, AND PROCESSES FOR PREPARING THEM AND THEIR INTERMEDIATES<br/>[FR] AGENTS GNRH NON PEPTIDIQUES, COMPOSITIONS PHARMACEUTIQUES ET METHODES D'UTILISATION DE CES DERNIERES, PROCEDES DE PREPARATION DE CES COMPOSES ET DE LEURS INTERMEDIAIRES
  申请人：AGOURON PHARMA

  公开号：WO2002098363A2

  公开（公告）日：2002-12-12

  Non-peptide GnRH agents capable of inhibiting the effect of gonadotropin-releasing hormone are described. Such compounds and their pharmaceutically acceptable salts, prodrugs, and active metabolites are suitable for treating mammalian reproductive disorders and steroid hormone-dependent tumors as well as for regulating fertility, where suppression of gonadotropin release is indicated. Methods for synthesizing the compounds and intermediates useful in their preparation are also described.