4-benzylpiperazine-1-carboxylic acid butyl ester | 1019928-96-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-benzylpiperazine-1-carboxylic acid butyl ester
• 英文别名: 4-benzyl-piperazine-1-carboxylic acid butyl ester；butyl 4-benzylpiperazine-1-carboxylate
• CAS: 1019928-96-1
• 化学式: C₁₆H₂₄N₂O₂
• 分子量: 276.379
• InChiKey: GZVCWEXQFYYQRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-benzylpiperazine-1-carboxylic acid butyl ester 在 palladium on activated charcoal 、 氢气 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 生成 3.3. 4-((S)-4-tert-butoxycarbonyl-2-{[6-((1S,2S)-2-methoxymethyl-cyclopropyl)-2-phenyl-pyrimidine-4-carbonyl]-amino}-butyryl)-piperazine-1-carboxylic acid butyl ester
  参考文献：
  名称：

  Optimization of 2-phenyl-pyrimidine-4-carboxamides towards potent, orally bioavailable and selective P2Y12 antagonists for inhibition of platelet aggregation

  摘要：

  2-Phenyl-pyrimidine-4-carboxamide analogs were identified as P2Y12 antagonists. Optimization of the carbon-linked or nitrogen-linked substituent at the 6-position of the pyrimidine ring provided compounds with excellent ex vivo potency in the platelet aggregation assay in human plasma. Compound 23u met the objectives for activity, selectivity and ADMET properties.

  DOI：

  10.1016/j.bmcl.2014.06.070
• 作为产物：
  描述：

  1-苄基哌嗪 、 氯甲酸丁酯 生成 4-benzylpiperazine-1-carboxylic acid butyl ester
  参考文献：
  名称：

  Phosphonic acid derivates and their use as P2Y12 receptor antagonists

  摘要：

  本发明涉及含有磷酸基团的2-苯基嘧啶衍生物及其作为P2Y12受体拮抗剂在治疗和/或预防外周血管、内脏、肝脏和肾脏血管、心血管和脑血管疾病或与血小板聚集有关的疾病或情况，包括人类和其他哺乳动物中的血栓形成的用途。 (I)。

  公开号：

  US08518912B2

文献信息

• [EN] PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS<br/>[FR] DÉRIVÉS D'ACIDE PHOSPHONIQUE ET LEUR UTILISATION EN TANT QU'ANTAGONISTES DU RÉCEPTEUR P2Y12
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2009069100A1

  公开（公告）日：2009-06-04

  The invention relates to 2-phenyl-pyrimidine derivatives containing a phosphonic acid motif and their use as P2Y12 receptor antagonists in the treatment and/or prevention of peripheral vascular, of visceral-, hepatic- and renal-vascular, of cardiovascular and of cerebrovascular diseases or conditions associated with platelet aggregation, including thrombosis in humans and other mammals. (I).

  这项发明涉及含有膦酸基团的2-苯基嘧啶衍生物，以及它们作为P2Y12受体拮抗剂在治疗和/或预防外周血管、内脏-、肝脏和肾脏血管、心血管和脑血管疾病或与血小板聚集有关的疾病或状况中的使用，包括人类和其他哺乳动物中的血栓形成。（I）。
• 2-PHENYL-6-AMINOCARBONYL-PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR
  申请人：Caroff Eva

  公开号：US20090291962A1

  公开（公告）日：2009-11-26

  The invention relates to 2-phenyl-6-aminbcarbonyl-pyrimidinc derivatives and their use as P2Y 12 receptor antagonists in the treatment and/or prevention and/or treatment of peripheral vascular, of visceral-, hepatic- and renal-vascular, of cardiovascular and of cerebrovascular diseases or conditions associated with platelet aggregation, including thrombosis in humans and other mammals. Formula (1).

  这项发明涉及2-苯基-6-氨基羰基嘧啶衍生物及其作为P2Y12受体拮抗剂在治疗和/或预防和/或治疗外周血管、内脏-、肝脏和肾脏血管、心血管和脑血管疾病或与血小板聚集有关的疾病或病况的用途，包括人类和其他哺乳动物中的血栓形成。公式（1）。
• 2-AMINOCARBONYL-PYRIDINE DERIVATIVES
  申请人：Caroff Eva

  公开号：US20100035895A1

  公开（公告）日：2010-02-11

  The present invention relates to 2-aminocarbonyl-pyridine derivatives of Formula (I) and their use as P2Y 12 receptor antagonists in the treatment and/or prevention of peripheral vascular, of visceral-, hepatic- and renal-vascular, of cardiovascular and of cerebrovascular diseases or conditions associated with platelet aggregation, including thrombosis.

  本发明涉及公式（I）的2-氨基羰基吡啶衍生物及其在治疗和/或预防与血小板聚集相关的周围血管、内脏、肝脏和肾脏血管、心血管和脑血管疾病或病况中作为P2Y12受体拮抗剂的用途，包括血栓形成。
• 2-aminocarbonyl-pyridine derivatives
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：US08093250B2

  公开（公告）日：2012-01-10

  The present invention relates to 2-aminocarbonyl-pyridine derivatives of Formula (I) and their use as P2Y12 receptor antagonists in the treatment and/or prevention of peripheral vascular, of visceral-, hepatic- and renal-vascular, of cardiovascular and of cerebrovascular diseases or conditions associated with platelet aggregation, including thrombosis.

  本发明涉及式(I)的2-氨基羰基吡啶衍生物及其在治疗和/或预防与血小板聚集有关的外周血管、内脏、肝脏和肾脏血管、心血管和脑血管疾病或病情中作为P2Y12受体拮抗剂的应用，包括血栓形成。
• 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidines
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：US08288385B2

  公开（公告）日：2012-10-16

  The present invention relates to 6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-phenyl-pyrimidine derivatives and their use as P2Y12 receptor antagonists in the treatment and/or prevention of peripheral vascular, of visceral-, hepatic- and renal-vascular, of cardiovascular and of cerebrovascular diseases or conditions associated with platelet aggregation, including thrombosis in humans and other mammals.

  本发明涉及6-(3-aza-bicyclo[3.1.0]hex-3-yl)-2-苯基嘧啶衍生物及其作为P2Y12受体拮抗剂在治疗和/或预防外周血管、内脏、肝、肾、心血管和脑血管疾病或与血小板聚集有关的情况，包括在人类和其他哺乳动物中的血栓形成。