(S)-2-(Pyridin4-ylamino)-propan-1-ol | 263553-39-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (S)-2-(Pyridin4-ylamino)-propan-1-ol
• 英文别名: (S)-2-(Pyridin-4-ylamino)-propan-1-ol；(2S)-2-(pyridin-4-ylamino)propan-1-ol
• CAS: 263553-39-5
• 化学式: C₈H₁₂N₂O
• 分子量: 152.196
• InChiKey: MQBAKNLPIFKEPG-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  45.2
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (S)-2-(Pyridin4-ylamino)-propan-1-ol 、 氯化亚砜 、 以 二氯甲烷 为溶剂， 反应 18.0h， 以to give the title compound as a white solid (20.1 g)的产率得到N-[(1S)-2-chloro-1-methylethyl]pyridin-4-amine hydrochloride
  参考文献：
  名称：

  Benzamide derivatives as thrombin inhibitors

  摘要：

  根据本发明提供了公式（I）的新化合物，其中R1代表C1-4烷基或C3-8环烷基，R2代表C1-4烷基或C3-4烯基，R3代表氢、C1-3烷基或卤素，R4代表C1-6烷基，制备它们的过程，包含它们的制药配方以及它们在治疗中特别作为凝血酶抑制剂的用途。

  公开号：

  US06670381B2
• 作为产物：
  描述：

  (S)-2-(2,3,5,6-Tetrachloro-pyridin-4-ylamino)-propan-1-ol 、 potassium carbonate 在 钯 氢气 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以to give the title compound as a white solid (3.2 g)的产率得到(S)-2-(Pyridin4-ylamino)-propan-1-ol
  参考文献：
  名称：

  Benzamide derivatives as thrombin inhibitors

  摘要：

  根据本发明提供了公式（I）的新化合物，其中R1代表C1-4烷基或C3-8环烷基，R2代表C1-4烷基或C3-4烯基，R3代表氢、C1-3烷基或卤素，R4代表C1-6烷基，制备它们的过程，包含它们的制药配方以及它们在治疗中特别作为凝血酶抑制剂的用途。

  公开号：

  US06670381B2

文献信息

• BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1117644A1

  公开（公告）日：2001-07-25
• US6441008B1
  申请人：——

  公开号：US6441008B1

  公开（公告）日：2002-08-27
• US6670381B2
  申请人：——

  公开号：US6670381B2

  公开（公告）日：2003-12-30
• [EN] BENZAMIDE DERIVATIVES AS THROMBIN INHIBITORS<br/>[FR] DERIVES DE BENZAMIDE INHIBITEURS DE LA THROMBINE
  申请人：GLAXO GROUP LTD

  公开号：WO2000020394A1

  公开（公告）日：2000-04-13

  There are provided according to the invention novel compounds of formula (I), wherein R1 represents C¿1-4?alkyl or C3-8cycloalkyl, R?2¿ represents C¿1-4?alkyl or C3-4alkenyl, R?3¿ represents hydrogen, C¿1-3?alkyl or halogen, and R?4¿ represents C¿1-6?alkyl, processes for preparing them, pharmaceutical formulations containing them and their use in therapy particularly as thrombin inhibitors.
• [EN] PROCESSES FOR THE MANUFACTURE OF THROMBIN INHIBITORS AND N-PYRIDIN-4-YL-OXAZOLIDIN-2-ONES AS INTERMEDIATE THEREFOR<br/>[FR] PROCEDES POUR PRODUIRE DES INHIBITEURS DE THROMBINE ET DES N-PYRIDIN-4-YL-OXAZOLIDIN-2-ONES SERVANT DE PRODUITS INTERMEDIAIRES POUR CETTE PRODUCTION
  申请人：GLAXO GROUP LTD

  公开号：WO2003006462A1

  公开（公告）日：2003-01-23

  A novel intermediate of formula (II) is provided for use in an improved process for the preparation of benzamide derivatives of formula (I) which are known to be thrombin inhibitors, wherein: R?1 and R2¿ independently represent a group (VII) or R?1 and R2¿ together form a C¿3-7?heterocycloalkyl or heterocycloalkenyl group which may be optionally substituted by C1-6alkyl, C1-4alkoxy, halogen, carboxylic acid or a C1-4carboxylic acid ester group; R?3¿ represents hydrogen, C¿1-3?alkyl, halogen, or C1-2alkoxy; R?4, R5 and R6¿ independently represent hydrogen, or halogen; R7 represents hydrogen or C¿1-6?alkyl; R?8¿ represents hydrogen, C¿3-8?cycloalkyl, C3-7cycloalkenyl, C3-7heterocycloalkyl, C3-7heterocycloalkenyl, aryl, or heteroaryl, which groups are optionally substituted by one or more groups selected from halogen, hydroxy, CN, Cl-6alkyl, Cl-6alkoxy, C1-6acyloxy, NR?9R10, NHCOR11¿, NHSO¿2?R?12, COR13, CO¿2R?14CONR15Rl6¿, and SO¿2NHR?17; X represents a bond, a C¿1-6?alkyl chain, or a C3-6alkenyl chain, where one or two nitrogen, oxygen, or sulfur atoms may be optionally contained within each chain, and the chains are optionally substituted by one or more groups selected from halogen, hydroxy, CN, C1-6alkyl, C1-6alkoxy, C1-6acyloxy, NR?9R10, NHCOR11¿, NHSO¿2?R?12, COR13, CO¿2R?14, CONR15R16¿ and SO¿2?NHR?17; R9-R17¿ represent hydrogen, C¿1-6?alkyl, or R?9 and R10 or R15 and R16¿ form a C¿3-7?heterocycloalkyl ring, or R?12¿ additionally may represent trifluoromethyl.