(R)-3-吗啉甲酸 | 1187928-88-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: (R)-3-吗啉甲酸
• 中文别名: (R)-3-羧基吗啉
• 英文名称: (3R)-morpholine-3-carboxylic acid hydrochloride
• 英文别名: (R)-Morpholine-3-carboxylic acid hydrochloride；(3R)-morpholine-3-carboxylic acid;hydrochloride
• CAS: 1187928-88-6
• 化学式: C₅H₉NO₃*ClH
• 分子量: 167.592
• InChiKey: CWSLARZELUGARZ-PGMHMLKASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.52
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  58.6
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302+H312+H332,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  甲醇 、 (R)-3-吗啉甲酸 在 氯化亚砜 作用下， 反应 24.0h， 以35%的产率得到R-3-甲酸甲酯吗啉
  参考文献：
  名称：

  아다만틸기를 갖는 헤테로고리 카복스아미드 유도체, 이의 제조방법 및 이를 유효성분으로 함유하는 약제학적 조성물

  摘要：

  本发明涉及一种含有具有化学式1的阿达曼蒂尔基的杂环羰基衍生物，其抑制11β-羟基类固醇脱氢酶1型（11β-hydroxystreroid dehydrogenase type1, 11β-HSD1）的活性，以及其前药、溶剂化合物、立体异构体或药学上可接受的盐，以及包含其作为有效成分的药学组合物的制备方法。在上述化学式1中，W、X、R、R、L、a和b如本发明的详细描述中定义。

  公开号：

  KR20170079939A

文献信息

• [EN] 6-SUBSTITUTED INDOLE COMPOUNDS<br/>[FR] COMPOSÉS INDOLES SUBSTITUÉS EN POSITION 6
  申请人：GILEAD SCIENCES INC

  公开号：WO2022140325A1

  公开（公告）日：2022-06-30

  The present disclosure relates generally to certain compounds, pharmaceutical compositions comprising said compounds, and methods of making and using said compounds and pharmaceutical compositions. The compounds and compositions provided herein may be used for the treatment or prevention of an autoimmune disease and/or inflammatory condition, including systemic lupus erythematosus and cutaneous lupus erythematosus.

  本公开涉及某些化合物、包含所述化合物的制药组合物以及制备和使用所述化合物和制药组合物的方法。本文提供的化合物和组合物可用于治疗或预防自身免疫性疾病和/或炎症病状，包括全身性红斑狼疮和皮肤型红斑狼疮。
• Discovery and Pre-Clinical Characterization of Third-Generation 4-H Heteroaryldihydropyrimidine (HAP) Analogues as Hepatitis B Virus (HBV) Capsid Inhibitors
  作者：Zongxing Qiu、Xianfeng Lin、Weixing Zhang、Mingwei Zhou、Lei Guo、Buelent Kocer、Guolong Wu、Zhisen Zhang、Haixia Liu、Houguang Shi、Buyu Kou、Taishan Hu、Yimin Hu、Mengwei Huang、S. Frank Yan、Zhiheng Xu、Zheng Zhou、Ning Qin、Yue Fen Wang、Shuang Ren、Hongxia Qiu、Yuxia Zhang、Yi Zhang、Xiaoyue Wu、Kai Sun、Sheng Zhong、Jianxun Xie、Giorgio Ottaviani、Yuan Zhou、Lina Zhu、Xiaojun Tian、Liping Shi、Fang Shen、Yi Mao、Xue Zhou、Lu Gao、John A. T. Young、Jim Zhen Wu、Guang Yang、Alexander V. Mayweg、Hong C. Shen、Guozhi Tang、Wei Zhu

  DOI：10.1021/acs.jmedchem.7b00083

  日期：2017.4.27

  Described herein are the discovery and structure activity relationship (SAR) studies of the third-generation 4-H heteroaryldihydropyrimidines (4-H HAPs) featuring the introduction of a C6 carboxyl group as novel HBV capsid inhibitors. This new series of 4-H HAPs showed improved anti-HBV activity and better drug-like properties compared to the first- and second-generation 4-H HAPs. X-ray crystallographic study of.analogue 12 (HAP_iR01) with Cp149 Y132A mutant hexamer clearly elucidated the role of C6 carboxyl group played for the increased binding affinity, which formed strong hydrogen' onding interactions with capsid protein and coordinated waters. The representative analogue 10 (HAP_R10) was extensively characterized in vitro (ADMET) and in vivo (mouse PK and PD) and subsequently selected for further devehipffientas oral anti-HBV infection agent.