N-(4-甲氧基苄基)-6-氯-5-硝基嘧啶-4-胺 | 651013-61-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: N-(4-甲氧基苄基)-6-氯-5-硝基嘧啶-4-胺
• 英文名称: 6-chloro-N-(4-methoxybenzyl)-5-nitropyrimidin-4-amine
• 英文别名: 6-Chloro-N-[(4-methoxyphenyl)methyl]-5-nitropyrimidin-4-amine
• CAS: 651013-61-5
• 化学式: C₁₂H₁₁ClN₄O₃
• 分子量: 294.697
• InChiKey: MCYGYAOODSDXHV-UHFFFAOYSA-N

物化性质

• 熔点：
  84-86 °C
• 沸点：
  489.1±45.0 °C(Predicted)
• 密度：
  1.445±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  92.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(4-甲氧基苄基)-6-氯-5-硝基嘧啶-4-胺 在 铁粉 、 溶剂黄146 作用下， 反应 1.5h， 以5.28 g的产率得到6-chloro-N⁴-(4-methoxybenzyl)pyrimidine-4,5-diamine
  参考文献：
  名称：

  HETEROCYCLIC AMIDE COMPOUND

  摘要：

  公开号：

  EP3514149B1
• 作为产物：
  描述：

  4,6-二氯-5-硝基嘧啶 、 4-甲氧基苄胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以80%的产率得到N-(4-甲氧基苄基)-6-氯-5-硝基嘧啶-4-胺
  参考文献：
  名称：

  Synthesis and biological evaluation of pyrimidine analogs of antimycobacterial purines

  摘要：

  Pyrimidine analogs of antimycobacterial 6-aryl-9-benzylpurines have been synthesized and screened for antibacterial activity against Mycobacterium tuberculosis H(37)Rv in vitro. Several active compounds were identified and the best results were observed for 5-formamidopyrimidines. These compounds generally displayed IC(90) values <= 1 mu g/mL, and they exhibited low toxicity towards mammalian cells. Imidazolylpyrimidines, which may be regarded as fleximer analogs of the parent purines, were also synthesized and one of them was found to be quite a potent inhibitor of M. tuberculosis (IC(90) 14 mu g/mL). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.04.035

文献信息

• Compounds containing a N-heteroaryl moiety linked to fused ring moieties for the inhibition of NAD(P)H oxidases and platelet activation
  申请人：Vasopharm Biotech GmbH

  公开号：EP1598354A1

  公开（公告）日：2005-11-23

  The invention relates to compounds containing a N-heteroaryl moiety, which is linked via oxygen, sulfur or nitrogen, or via a methylene bridge and oxygen, sulfur or nitrogen to a fused ring moiety, in particular to the 1,2,3-triazolo[4,5-d]pyrimidine-7-yl radical. The invention also relates to a process for the preparation of said compounds and the use thereof in drugs for the treatment of NAD(P)H oxidases-related diseases and disorders and inhibition of platelet activation.

  该发明涉及含有N-杂环芳基团的化合物，该化合物通过氧、硫或氮，或通过亚甲基桥和氧、硫或氮连接到融合环基团，特别是到1,2,3-三唑并[4,5-d]嘧啶-7-基自由基。该发明还涉及一种制备所述化合物的方法以及在治疗NAD(P)H氧化酶相关疾病和疾病以及抑制血小板活化的药物中的使用。
• [EN] COMPOUNDS CONTAINING A N-HETEROARYL MOIETY LINKED TO FUSED RING MOIETIES FOR THE INHIBITION OF NAD(P)H OXIDASES AND PLATELET ACTIVATION<br/>[FR] COMPOSES COMPRENANT UNE FRACTION N-HETEROARYLE LIEE A DES FRACTIONS DE NOYAU FUSIONNEES ET DESTINES A L'INHIBITION DES NAD(P)H OXYDASES ET DE L'ACTIVATION DE PLAQUETTES
  申请人：VASOPHARM BIOTECH GMBH

  公开号：WO2005111041A1

  公开（公告）日：2005-11-24

  The invention relates to compounds containing a N-heteroaryl moiety, which is linked via oxygen, sulfur or nitrogen, or via a methylene bridge and oxygen, sul­fur or nitrogen to a fused ring moiety, in particular to the 1,2,3-triazolo[4,5­d]pyrimidine-7-yl radical. The invention also relates to a process for the prepara­tion of said compounds and the use thereof in drugs for the treatment of NAD(P)H oxidases-related diseases and disorders and inhibition of platelet activation.

  本发明涉及一种含有N-杂芳基基团的化合物，该基团通过氧、硫或氮或通过亚甲基桥和氧、硫或氮连接到融合环基团上，特别是1,2,3-三唑并[4,5-d]嘧啶-7-基自由基。本发明还涉及制备该化合物的方法以及在治疗NAD（P）H氧化酶相关疾病和障碍以及抑制血小板活化的药物中使用该化合物的用途。
• Nucleoside compounds and their use for treating cancer and diseases associated with somatic mutations
  申请人：——

  公开号：US20040067900A1

  公开（公告）日：2004-04-08

  The invention encompasses nucleoside compounds, compositions comprising the compounds and methods for treating or preventing diseases associated with nonsense mutations of mRNA by administering these compounds or compositions.

  本发明涉及核苷酸化合物、包含这些化合物的组合物以及通过给予这些化合物或组合物来治疗或预防与mRNA无意义突变相关疾病的方法。
• Compounds Containing a N-Heteroaryl Moiety Linked to Fused Ring Moieties for the Inhibition of Nad(P)H Oxidases and Platelet Activation
  申请人：Tegtmeier Frank

  公开号：US20080044354A1

  公开（公告）日：2008-02-21

  The invention relates to compounds containing a N-heteroaryl moiety, which is linked via oxygen, sulfur or nitrogen, or via a methylene bridge and oxygen, sulfur or nitrogen to a fused ring moiety, in particular to the 1,2,3-triazolo[4,5d]pyrimidine-7-yl radical. The invention also relates to a process for the preparation of said compounds and the use thereof in drugs for the treatment of NAD(P)H oxidases-related diseases and disorders and inhibition of platelet activation.

  该发明涉及含有N-杂环芳基基团的化合物，该基团通过氧、硫或氮或通过亚甲基桥和氧、硫或氮连接到一个融合环基团上，特别是1,2,3-三唑并[4,5d]嘧啶-7-基自由基。该发明还涉及制备该化合物的方法以及在治疗NAD（P）H氧化酶相关疾病和障碍以及抑制血小板活化的药物中使用它们的用途。
• Heterocyclic amide compound
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US10774083B2

  公开（公告）日：2020-09-15

  Provided is a heterocyclic amide compound that may have a PRS inhibitory action and is expected to be useful as a prophylactic or therapeutic agent for PRS associated diseases and the like including cancer. A compound represented by the following formula (I): wherein a group represented by is a group represented by the following formula (II) or the following formula (III): and other symbols are as described in the DESCRIPTION, or a salt thereof.

  本文提供了一种杂环酰胺化合物，该化合物可能具有 PRS 抑制作用，有望用作 PRS 相关疾病（包括癌症）等的预防或治疗药物。下式(I)代表的化合物： 其中一个基团由 是下式（II）或下式（III）所代表的基团： 和其他符号如说明书或其盐类所述。