nizatidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: nizatidine
• 英文别名: Axid；(Z)-1-N'-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
• 化学式: C₁₂H₂₁N₅O₂S₂
• 分子量: 331.463
• InChiKey: SGXXNSQHWDMGGP-WDZFZDKYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  140
• 氢给体数：
  2
• 氢受体数：
  8

ADMET

毒理性

• 在妊娠和哺乳期间的影响

◉ 母乳喂养期间使用总结：由于母乳中尼扎替丁含量较低，婴儿摄入的量很小，预计不会对哺乳婴儿造成任何不良反应。无需特殊预防措施。在新生儿中，可能更倾向于使用应用更广泛的组胺H2受体拮抗剂。 ◉ 对哺乳婴儿的影响：截至修订日期，没有找到相关的已发布信息。 ◉ 对泌乳和母乳的影响：已知组胺H2受体阻断能刺激催乳素分泌。截至修订日期，没有找到由尼扎替丁引起的催乳素血症、乳汁分泌过多或对哺乳妇女影响的报告。在已建立泌乳的母亲中，其催乳素水平可能不会影响她的哺乳能力。

◉ Summary of Use during Lactation:Because of the low levels of nizatidine in breastmilk, amounts ingested by the infant are small and would not be expected to cause any adverse effects in breastfed infants. No special precautions are required. Histamine H2-antagonists with more extensive use might be preferred in newborns. ◉ Effects in Breastfed Infants:Relevant published information was not found as of the revision date. ◉ Effects on Lactation and Breastmilk:Histamine H2-receptor blockade is known to stimulate prolactin secretion. No reports of hyperprolactinemia, galactorrhea or effects on breastfeeding women caused by nizatidine were found as of the revision date. The maternal prolactin level in a mother with established lactation may not affect her ability to breastfeed.

来源:Drugs and Lactation Database (LactMed)

反应信息

• 作为反应物：
  描述：

  nizatidine 在 硫酸 、 H⁽¹²⁵⁾IO₄ 、 chloroamine-T 、 silica gel 、 sodium chloride 作用下， 以 四氢呋喃 、 水 为溶剂， 以35%的产率得到[¹²⁵I]iodonizatidine
  参考文献：
  名称：

  Radioiodination and biological evaluation of nizatidine as a new highly selective radiotracer for peptic ulcer disorder detection

  摘要：

  尼扎替丁使用[125I]标记，氯胺-T 作为氧化剂。为了优化碘化过程，对氧化剂的用量、底物的用量、pH 值、反应温度和反应时间等因素进行了系统研究。生物分布研究表明，放射性碘化尼扎替丁适合用作胃溃疡成像的新型示踪剂。放射性碘化尼扎替丁可被视为消化性溃疡成像的高选择性放射性示踪剂。

  DOI：

  10.1002/jlcr.3541

文献信息

• Rapid oxidation of histamine H2-receptor antagonists by peroxymonosulfate during water treatment: Kinetics, products, and toxicity evaluation
  作者：Yajie Qian、Jinjing Huang、Xiang Liu、Tongcai Liu、Gang Xue、Pin Gao、Xuefei Zhou、Yalei Zhang、Jiabin Chen

  DOI：10.1016/j.watres.2020.116278

  日期：2020.10

  radicals to PMS-promoted degradation of HRAs, and this non-radical process was unaffected by the real water matrices. Structure-activity assessment and theoretical calculation indicated that the thioether sulfur in HRAs (except RXTD) was the main reactive site for PMS oxidation. Transformation product analysis further elucidated oxidation of the thioether sulfur to sulfoxide product through an oxygen atom

  过氧一硫酸盐（PMS）是一种有吸引力的氧化剂，可依靠活化后自由基的产生来破坏有机污染物。本文中，我们首次报道了通过PMS促进的通过非自由基过程快速降解组胺H 2受体拮抗剂（HRA）。检查了五个常用的HRA，即雷尼替丁（RNTD），西咪替丁（CMTD），法莫替丁（FMTD），尼扎替丁（NZTD）和罗沙替丁（RXTD）对PMS的反应性。结果表明，HRA（RXTD除外）对PMS表现出高反应活性，其二阶速率常数从403到872 M -1 s -1在pH 7.0下。自由基清除实验排除了自由基对PMS促进的HRA降解的贡献，并且这种非自由基过程不受实际水基质的影响。结构活性评估和理论计算表明，HRA（RXTD除外）中的硫醚硫是PMS氧化的主要反应部位。转化产物分析进一步阐明了通过氧原子转移过程将硫醚硫氧化为亚砜产物。而且，直链上的硫醚硫比HRA的噻唑环上的硫更易被PMS转移。毒性评估表明PMS氧化后，HRA的生态毒性可以显着降低。因此，
• Active agent delivery systems and methods for protecting and administering active agents
  申请人：Mickle Travis

  公开号：US20070232529A1

  公开（公告）日：2007-10-04

  The present invention relates to active agent delivery systems and more specifically to compositions that comprise amino acids, as single amino acids or peptides, covalently attached to active agents and methods for administering conjugated active agent compositions.

  本发明涉及活性物质输送系统，更具体地涉及包含氨基酸（作为单个氨基酸或肽）与活性物质共价连接的组合物以及用于给予共轭活性物质组合物的方法。
• ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS
  申请人：Mickle Travis

  公开号：US20090253792A1

  公开（公告）日：2009-10-08

  The present invention relates to active agent delivery systems and more specifically to compositions that comprise amino acids, as single amino acids or peptides, covalently attached to active agents and methods for administering conjugated active agent compositions.

  本发明涉及活性剂递送系统，更具体地涉及包含氨基酸（作为单个氨基酸或肽）与活性剂共价连接的组合物以及给予共轭活性剂组合物的方法。
• ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS
  申请人：Mickle Travis

  公开号：US20090306228A1

  公开（公告）日：2009-12-10

  The present invention relates to active agent delivery systems and more specifically to compositions that comprise amino acids, as single amino acids or peptides, covalently attached to active agents and methods for administering conjugated active agent compositions.

  本发明涉及活性剂递送系统，更具体地涉及包含氨基酸，作为单个氨基酸或肽，与活性剂共价结合的组合物以及用于给予共轭活性剂组合物的方法。
• COMPOSITIONS AND METHODS FOR THE TREATMENT OF ACID-RELATED GASTROINTESTINAL DISORDERS CONTAINING A DITHIOLANE COMPOUND AND A GASTRIC ACID SECRETION INHIBITOR.
  申请人：Shahid Muslim D.

  公开号：US20160354342A1

  公开（公告）日：2016-12-08

  A treatment for acid related gastrointestinal disorders. The methods and compounds described include gastric acid secretion inhibitors in combination with alpha lipoic acid (ALA) or related compounds. ALA is not known as a treatment for acid related gastrointestinal disorders; however, when combined with certain compounds used in the treatment of acid related gastrointestinal disorders, ALA significantly improves existing treatments.