1-(2-氟苄基)-1H-吡唑并[3,4-b]吡啶-3-羧酸乙酯 | 256376-59-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并吡啶类
• 中文名称: 1-(2-氟苄基)-1H-吡唑并[3,4-b]吡啶-3-羧酸乙酯
• 英文名称: ethyl 1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylate
• 英文别名: 1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridine-3-carboxylic acid ethyl ester；ethyl 1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridine-3-carboxylate
• CAS: 256376-59-7
• 化学式: C₁₆H₁₄FN₃O₂
• 分子量: 299.304
• InChiKey: KZVKXYSMYGMEPB-UHFFFAOYSA-N

物化性质

• 熔点：
  88-90°C
• 溶解度：
  DMSO（轻微）、甲醇（非常轻微）

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  57
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(2-氟苄基)-1H-吡唑并[3,4-b]吡啶-3-羧酸乙酯 在 吡啶 、 氨 、 sodium methylate 、 氯化铵 、 溶剂黄146 、 三氟乙酸酐 作用下， 以 甲醇 为溶剂， 反应 78.0h， 生成 月桂41-2272
  参考文献：
  名称：

  NO-Independent stimulators of soluble guanylate cyclase

  摘要：

  SARs around a novel type of guanylate cyclase stimulator which act by a mechanism different from classical NO-donors are described. Several pyrazolopyridinylpyrimidines are shown to relax aortic rings and revealed a long-lasting blood pressure lowering effect in rats after oral application. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00073-7
• 作为产物：
  描述：

  5-氨基-1-[(2-氟苯基)甲基]-1H-吡唑-3-羧酸乙酯 在 三氟乙酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 72.0h， 生成 1-(2-氟苄基)-1H-吡唑并[3,4-b]吡啶-3-羧酸乙酯
  参考文献：
  名称：

  [DE] PYRIDIN-SUBSTITUIERTES PYRAZOLDERIVAT
  [EN] PYRIDINE-SUBSTITUTED PYRAZOLOPYRIDINE DERIVATIVE
  [FR] DERIVE DE PYRAZOLOPYRIDINE SUBSTITUE PAR PYRIDINE

  摘要：

  这项发明涉及一种取代的吡唑衍生物及其作为药物的用途，特别是作为治疗心血管疾病的药物。

  公开号：

  WO2004031187A1

文献信息

• Substituted pyrazole derivatives condensed with six-membered heterocyclic rings
  申请人：Bayer Aktiengesellschaft

  公开号：US06743798B1

  公开（公告）日：2004-06-01

  The present invention relates to novel substituted pyrazole derivatives of the general formula (I) in which R1, R2, R3 and A are each as defined, and to processes for their preparation and to their use as medicaments, in particular as medicaments for the treatment of cardiovascular disorders.

  本发明涉及一种新型的取代吡唑衍生物，其通式为（I） 其中R1、R2、R3和A分别如定义所示，并涉及它们的制备过程以及它们作为药物的用途，特别是作为治疗心血管疾病的药物。
• Heterocyclic Substituted, Anellated Pyrazole Derivative and its uses
  申请人：Schirok Hartmut

  公开号：US20100004235A1

  公开（公告）日：2010-01-07

  The present application relates to novel heterocyclyl-substituted fused pyrazole derivatives, to processes for their preparation, to their use, alone or in combination, for the treatment and/or prevention of diseases and to their use for preparing medicaments for the treatment and/or prevention of diseases, in particular for the treatment and/or prevention of cardiovascular disorders.

  本申请涉及新颖的杂环取代的融合吡唑衍生物，其制备方法，它们的使用，单独或组合使用，用于治疗和/或预防疾病，以及用于制备用于治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管疾病。
• [EN] PROCESS FOR THE PREPARATION OF METHYL 4,6-DIAMINO-2-[L-(2-FHIOROBENZVR)-LH-PYRAZOLO I3,4-BLPVRIDIN-3-VN-5-PYRIMIDINYL(METHVL)CARBAMATE AND ITS POLYMORPHS THEREOF<br/>[FR] PROCÉDÉ DE PRÉPARATION DE MÉTHYL 4,6-DIAMINO-2-[1-(2-FLUOROBENZYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-3-YL]-5-PYRIMIDINYLE(MÉTHYL)CARBAMATE ET DE SES POLYMORPHES
  申请人：MSN LABORATORIES PRIVATE LTD

  公开号：WO2017025981A1

  公开（公告）日：2017-02-16

  The present invention relates to process for the preparation of methyl 4,6-diamino-2-[1-(2-fluorobenzyl)-lH-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl(methyl)carbamate and its polymorphs thereof compound of formula-1, represented by the following structure.

  本发明涉及一种用于制备甲基4,6-二氨基-2-[1-(2-氟苯甲基)-1H-吡唑并[3,4-b]吡啶-3-基]-5-嘧啶基(甲基)氨基甲酸酯及其多晶形式的化合物的制备方法，该化合物的分子式如下所示。
• Process for preparing substituted 5-fluoro-1H-pyrazolopyridines
  申请人：BAYER INTELLECTUAL PROPERTY GMBH

  公开号：US20130143900A1

  公开（公告）日：2013-06-06

  The present application relates to a novel and efficient process for preparing novel substituted 5-fluoro-1H-pyrazolopyridines of the formula (VI) which are suitable as an intermediate for production of medicaments and for production of medicaments for treatment and/or prophylaxis of cardiovascular disorders. More particularly, the 5-fluoro-1H-pyrazolopyridines of the formula (VI) are suitable for preparation of the compound of the formula (I) which serves for production of medicaments, for production of medicaments for treatment and/or prophylaxis of cardiovascular disorders.

  本申请涉及一种新颖高效的制备新型取代5-氟-1H-吡唑吡啶的方法，其化学式为（VI），该方法适用于作为药物制剂的中间体，用于制备治疗和/或预防心血管疾病的药物。更具体地说，化学式（VI）的5-氟-1H-吡唑吡啶适用于制备化合物的化学式（I），该化合物用于药物制剂的制备，用于制备治疗和/或预防心血管疾病的药物。
• Substituted pyrazole derivatives
  申请人：Bayer HealthCare AG

  公开号：US06833364B1

  公开（公告）日：2004-12-21

  The present invention relates to novel substituted pyrazole derivatives of the general formula (I) in which the substituents R1, R2, R3, A, X and Y are each as defined, and to processes for their preparation and to their use as medicaments, in particular as medicaments for the treatment of cardiovascular disorders.

  本发明涉及一种新型的取代吡唑衍生物，其一般式为（I），其中取代基R1、R2、R3、A、X和Y分别如定义，并涉及其制备方法以及作为药物的用途，特别是作为治疗心血管疾病的药物。