3-(pyridin-2-yl)-DL-alanine methyl ester | 172927-00-3

• 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: 3-(pyridin-2-yl)-DL-alanine methyl ester
• 英文别名: 3-(2-pyridyl)-DL-alanine methyl ester；(L)-2-pyridylalanine methyl ester；L-methyl 3-(2-pyridinyl)alaninate；methyl 3-pyridin-2-yl-L-alaninate；methyl (2S)-2-amino-3-(pyridin-2-yl)propanoate；methyl (2S)-2-amino-3-pyridin-2-ylpropanoate
• CAS: 172927-00-3
• 化学式: C₉H₁₂N₂O₂
• 分子量: 180.206
• InChiKey: YPUMFYLWBZTWHR-QMMMGPOBSA-N

物化性质

• 沸点：
  273.9±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)：
  0.2
• 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：

  3-(pyridin-2-yl)-DL-alanine methyl ester 在 盐酸 、 N-羟基-7-氮杂苯并三氮唑 、 1-羟基苯并三唑 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 40.33h， 生成 (S)-2-{[1-((S)-2-Acetylsulfanyl-3-methyl-butyrylamino)-cyclopentanecarbonyl]-amino}-3-pyridin-2-yl-propionic acid methyl ester
  参考文献：
  名称：

  Fink; Qiao; Berry, Journal of Medicinal Chemistry, 1995, vol. 38, # 26, p. 5023 - 5030

  摘要：

  DOI：
• 作为产物：
  描述：

  methyl (S)-2-amino-3-(2-pyridyl)propionate hydrochloride 在 Amberlyst A-21 作用下， 生成 3-(pyridin-2-yl)-DL-alanine methyl ester
  参考文献：
  名称：

  2-(HETEROARYL) ALKYL INDAZOLE 6-PHENYL AND THIENYL METHYL AMIDE AS THROMBIN INHIBITORS

  摘要：

  该发明涉及取代吲唑并且生产方法以及用于制备治疗和/或预防疾病的药物的用途，特别是心血管疾病，最好是血栓栓塞疾病。

  公开号：

  US20100105663A1

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。
• Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4
  申请人：ELAN PHARMACEUTICALS, INC.

  公开号：EP1612215A1

  公开（公告）日：2006-01-04

  Disclosed are pyroglutamic acid derivatives and related compounds which bind VLA-4. Certain of these compounds also inhibit leukocyte adhesion and, in particular, leukocyte adhesion mediated by VLA-4. Such compounds are useful in the treatment of inflammatory diseases in a mammalian patient, e.g. human, such as asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, diabetes, inflammatory bowel disease, rheumatoid arthritis, tissue transplantation, tumor metastasis and myocardial ischemia. The compounds can also be administered for the treatment of inflammatory brain diseases such as multiple sclerosis.

  本文披露了与VLA-4结合的吡咯烷酸衍生物和相关化合物。其中某些化合物还抑制白细胞粘附，特别是通过VLA-4介导的白细胞粘附。这些化合物在治疗哺乳动物患者（例如人类）的炎症性疾病中非常有用，如哮喘、阿尔茨海默病、动脉粥样硬化、艾滋病痴呆、糖尿病、炎症性肠病、类风湿性关节炎、组织移植、肿瘤转移和心肌缺血。这些化合物还可用于治疗多发性硬化等炎症性脑部疾病。
• New renin-inhibitory peptides and their use
  申请人：Sankyo Company, Limited

  公开号：US04698329A1

  公开（公告）日：1987-10-06

  Compounds of formula R.sup.1 CO--NH--CH(R.sup.2)--CONH--CH(R.sup.3)--X [wherein: R.sup.1 represents alkyl having an .alpha.-amino or protected .alpha.-amino substituent and an aryl, heterocyclic or heterocyclic-dithio substituent; R.sup.2 represents a variety of aliphatic and cycloaliphatic hydrocarbon groups, which may be substituted; R.sup.3 represents isobutyl, sec-butyl, benzyl or (C.sub.3 -C.sub.8 cycloalkyl)methyl; and X represents a group of formula --CH(--A--R.sup.4)--Y (in which: A represents a single bond or an alkylene group; R.sup.4 represents a carboxy group; a protected carboxy group, a carbamoyl group, an N-substituted carbamoyl group, a carbazoyl group, an N-substituted carbazoyl group or an acyl group; and Y represents a hydroxy group, a mercapto group or a formyl group), or a group of formula --P(O) (R.sup.5)--OH (in which R.sup.5 represents a substituted alkyl group having at least one substituent selected from carboxy groups, protected carboxy groups, N-substituted carbamoyl groups, carbazoyl groups, N-substituted carbazoyl groups, C.sub.2 -C.sub.7 aliphatic carboxylic acyl groups and aromatic carboxylic acyl groups)]; and their salts are renin inhibitors, which may be used in the treatment of angiotensin-induced hypertension.

  式为R.sup.1 CO--NH--CH(R.sup.2)--CONH--CH(R.sup.3)--X的化合物【其中：R.sup.1代表具有α-氨基或保护的α-氨基取代基和芳基、杂环基或杂环二硫基的烷基；R.sup.2代表多种脂肪和环脂烃基，可能被取代；R.sup.3代表异丁基、仲丁基、苄基或（C.sub.3 -C.sub.8环烷基）甲基；X代表式--CH(--A--R.sup.4)--Y的基团（其中：A代表单键或烷基基团；R.sup.4代表羧基、保护的羧基、氨基甲酰基、N-取代氨基甲酰基、氨基苯并噻唑基、N-取代氨基苯并噻唑基或酰基；Y代表羟基、巯基或甲酰基），或式--P(O) (R.sup.5)--OH的基团（其中R.sup.5代表取代的烷基基团，至少有一个取代基被选择自羧基、保护的羧基、N-取代氨基甲酰基、氨基苯并噻唑基、N-取代氨基苯并噻唑基、C.sub.2 -C.sub.7脂肪羧酰基和芳香族羧酰基）】及其盐是肾素抑制剂，可用于治疗由肾素引起的高血压。
• 3-(Heteroaryal) alanine derivatives-inhibitors of leukocyte adhesion mediated by VLA-4
  申请人：——

  公开号：US20020052375A1

  公开（公告）日：2002-05-02

  Disclosed are certain 3-(heteroaryl)alanine derivatives which bind VLA-4 and inhibit leukocyte adhesion mediated by VLA-4. Such compounds are useful in the treatment of inflammatory diseases in a mammalian patient, e.g., human, such as asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, diabetes, inflammatory bowel disease, rheumatoid arthritis, tissue transplantation, tumor metastasis and myocardial ischemia. The compounds can also be administered for the treatment of inflammatory brain diseases such as multiple sclerosis.

  本发明涉及某些3-(杂环芳基)丙氨酸衍生物，其与VLA-4结合并抑制由VLA-4介导的白细胞粘附。这些化合物可用于治疗哺乳动物患者（例如人类）的炎症性疾病，如哮喘、阿尔茨海默病、动脉粥样硬化、艾滋病痴呆、糖尿病、炎性肠病、类风湿性关节炎、组织移植、肿瘤转移和心肌缺血。这些化合物还可用于治疗多发性硬化等炎症性脑部疾病。