(S)-methyl 2-amino-3-(pyridin-3-yl)propanoate | 112455-83-1

• 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
• 英文名称: (S)-methyl 2-amino-3-(pyridin-3-yl)propanoate
• 英文别名: 3-(3-pyridyl)-L-alanine methyl ester；L-methyl 3-(3-pyridinyl)alaninate；methyl (S)-2-amino-3-(3-pyridinyl)propanoate；Methyl (S)-2-amino-3-(pyridin-3-yl)propanoate；methyl (2S)-2-amino-3-pyridin-3-ylpropanoate
• CAS: 112455-83-1
• 化学式: C₉H₁₂N₂O₂
• 分子量: 180.206
• InChiKey: JQPVBKDLAQDFFY-QMMMGPOBSA-N

物化性质

• 沸点：
  291.5±25.0 °C(Predicted)
• 密度：
  1.154±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  65.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (S)-methyl 2-amino-3-(pyridin-3-yl)propanoate 在 溶剂黄146 作用下， 以 乙醇 、 水 为溶剂， 生成 N-(t-butoxycarbonyl)-3-(3-piperidyl)-L-alanine methyl ester, acetate salt
  参考文献：
  名称：

  Aromatic hetherocyclic derivatives as enzyme inhibitors

  摘要：

  本发明公开了肽醛，它们是强效且特异的凝血酶抑制剂，其药用盐、药用组合物以及将它们用作治疗哺乳动物中由异常血栓形成特征的疾病状态的方法。

  公开号：

  US06008351A1
• 作为产物：
  描述：

  N-acetyl-(β-3-pyridyl)-α,β-dehydroalanine 在 tetrafluoroboric acid 、 氯化亚砜 、 (R,R)-(-)-1,2-bis[(o-methoxyphenyl)(phenyl) phosphino]ethane(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate 、 氢气 、 sodium acetate 作用下， 以 甲醇 为溶剂， 80.0 ℃ 、500.01 kPa 条件下， 反应 108.0h， 生成 (S)-methyl 2-amino-3-(pyridin-3-yl)propanoate
  参考文献：
  名称：

  Synthesis and Antimycobacterial Activity of 2,1′-Dihydropyridomycins

  摘要：

  Dihydropyridomycins 2 and 3, which lack the characteristic enol ester moiety of the potent antimycobacterial natural product pyridomycin (1), have been prepared from L-Thr, R- and S-hydroxy isovaleric acid, and 3-pyridinecarboxaldehyde. The 2R isomer 2 shows only 4-fold lower anti-Mtb activity than 1, indicating that the enol ester moiety in the natural product is not critical for its biological activity. This finding establishes 2 as a potent and more practical lead for anti-TB drug discovery.

  DOI：

  10.1021/ml300385q

文献信息

• [EN] HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE<br/>[FR] DERIVES D'HYDROXYETHYLAMINE UTILISES POUR LE TRAITEMENT DE LA MALADIE D'ALZHEIMER
  申请人：GLAXO GROUP LTD

  公开号：WO2004050619A1

  公开（公告）日：2004-06-17

  The present invention relates to novel hydroxyethylamine compounds of formula (I): (I) having Asp2 (-secretase, BACE1 or Memapsin) inhibitory activity, processes for their preparation, to compositions containing them and to their use in the treatment of diseases characterised by elevated - amyloid levels or -amyloid deposits, particularly Alzheimer's disease.

  本发明涉及具有Asp2（-分泌酶，BACE1或Memapsin）抑制活性的新型羟乙基胺化合物的化学式（I）：（I），其制备方法，含有它们的组合物以及它们在治疗由高β-淀粉样蛋白水平或β-淀粉样蛋白沉积所特征的疾病中的应用，特别是阿尔茨海默病。
• [EN] NOVEL CLOSTRIDIUM DIFFICILE TOXIN INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS DE TOXINE DE CLOSTRIDIUM DIFFICILE
  申请人：VENENUM BIODESIGN LLC

  公开号：WO2017214359A1

  公开（公告）日：2017-12-14

  The present invention relates to benzodiazepine derivative compounds of formula (I), or pharmaceutically acceptable salts thereof. The present benzodiazepine compounds are useful Clostridium difficile inhibitors in the treatment of Clostridium difficile infection in humans. The present invention provides a pharmaceutical composition containing benzodiazepine compounds of formula (I) and a method of making as well as a method of using the same in treating patients infected with Clostridium difficile infection by administering the same. The compounds of the present invention may be used in combination with additional antibiotics or anti-toxin antibody drugs.

  本发明涉及式(I)的苯二氮卓衍生物化合物，或其药学上可接受的盐。目前的苯二氮卓衍生物在治疗人类的克罗斯特氏梭菌感染中是有用的抑制剂。本发明提供了一种含有式(I)的苯二氮卓化合物的药物组合物，以及制备该药物组合物的方法和使用该药物组合物治疗感染克罗斯特氏梭菌的患者的方法。本发明的化合物可以与额外的抗生素或抗毒素抗体药物结合使用。
• LYSOBACTIN AMIDES
  申请人：VON NUSSBAUM Franz

  公开号：US20090203582A1

  公开（公告）日：2009-08-13

  The invention relates to lysobactin amides and methods for their preparation, as well as their use for manufacturing medicaments for the treatment and/or prophylaxis of diseases, in particular bacterial infectious diseases.

  这项发明涉及赖氨酸胞素酰胺及其制备方法，以及它们用于制造治疗和/或预防疾病，特别是细菌感染性疾病的药物的用途。
• Inhibitors of cysteine proteases and methods of use thereof
  申请人：Pardes Biosciences, Inc.

  公开号：US11124497B1

  公开（公告）日：2021-09-21

  The disclosure provides compounds with warheads and their use in treating medical diseases or disorders, such as viral infections. Pharmaceutical compositions and methods of making various compounds with warheads are provided. The compounds are contemplated to inhibit proteases, such as the 3C, CL- or 3CL-like protease. Exemplary compounds provided include Formula II-I, where R3, RB are provided herein:

  该披露提供了具有战斗头的化合物及其在治疗医学疾病或紊乱，如病毒感染方面的用途。提供了制药组合物和制备各种带有战斗头的化合物的方法。这些化合物被认为能够抑制蛋白酶，如3C、CL-或3CL样蛋白酶。提供的示例化合物包括Formula II-I，其中R3、RB如下所示：
• PYRIDOMYCIN BASED COMPOUNDS EXHIBITING AN ANTITUBERCULAR ACTIVITY
  申请人：ETH Zurich

  公开号：US20150246907A1

  公开（公告）日：2015-09-03

  Formula (1), X 1 represents O or NR 6 , X 2 represents O or NR 6 , X 3 represents O or NR 1 , R 1 represents H or C 1 to C 3 alkyl, R 2 represents H, or linear or branched C 1 -C 8 alkyl optionally including one or more heteroatoms, cyclopropyl, cyclobutyl, cyclohexyl or oxetanyl or amino acid side chain or protected amino acid side chain, or R 1 and R 2 may form together a saturated, partly saturated or unsaturated 5 or 6 membered ring system, optionally substituted, R 3 represents H, cyclopentyl, cyclohexyl, aryl or hydroxyaryl, aryl or hydroxyaryl being optionally substituted by fluorine, or linear or branched C 1 to C 8 alkyl optionally including a hetero atom, R 4 represents phenyl or 5- or 6-membered heterocycles including one or more nitrogen or oxygen atoms optionally substituted with 1 to 4, respectively 5 fluorine atoms, and R 6 represents H, or linear or branched alkyl chain having 1 to 3 carbon atoms.

  公式（1），X1代表O或NR6，X2代表O或NR6，X3代表O或NR1，R1代表H或C1到C3烷基，R2代表H，或线性或支链的C1-C8烷基，可选地包括一个或多个杂原子，环丙基，环丁基，环己基或氧环丙基或氨基酸侧链或保护的氨基酸侧链，或R1和R2可以形成一个饱和的，部分饱和的或不饱和的5或6成员环系统，可选地取代，R3代表H，环戊基，环己基，芳基或羟基芳基，芳基或羟基芳基可选地被氟取代，或线性或支链的C1到C8烷基，可选地包括一个杂原子，R4代表苯或包括一个或多个氮或氧原子的5-或6成员杂环，可选地用1到4，分别用5氟原子取代，R6代表H，或具有1到3个碳原子的线性或支链烷基链。