1-methyl 2-phenylmethyl 1-phenyl-1,2-hydrazinedicarboxylate | 875754-96-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-methyl 2-phenylmethyl 1-phenyl-1,2-hydrazinedicarboxylate
• 英文别名: 2-benzyl 1-methyl 1-phenylhydrazine-1,2-dicarboxylate；methyl N-phenyl-N-(phenylmethoxycarbonylamino)carbamate
• CAS: 875754-96-4
• 化学式: C₁₆H₁₆N₂O₄
• 分子量: 300.314
• InChiKey: OVLXPIHSWCDTRB-UHFFFAOYSA-N

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：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  67.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-methyl 2-phenylmethyl 1-phenyl-1,2-hydrazinedicarboxylate 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 methyl 2-phenylcarbazate
  参考文献：
  名称：

  N′,2-Diphenylquinoline-4-carbohydrazide based NK3 receptor antagonists

  摘要：

  A new class of potent NK3R antagonists based on the N,2-diphenylquinoline-4-carbohydrazide core is described. In an ex vivo assay in gerbil, the lead compound 2g occupies receptors within the CNS following oral dosing (Occ(90) 30 mg/kg po; plasma Occ(90) 0.95 mu M) and has good selectivity and promising PK properties. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.086
• 作为产物：
  描述：

  氯甲酸苄酯 在 碳酸氢钠 、 potassium carbonate 作用下， 以 水 、 乙酸乙酯 、 甲苯 为溶剂， 生成 1-methyl 2-phenylmethyl 1-phenyl-1,2-hydrazinedicarboxylate
  参考文献：
  名称：

  N′,2-Diphenylquinoline-4-carbohydrazide based NK3 receptor antagonists

  摘要：

  A new class of potent NK3R antagonists based on the N,2-diphenylquinoline-4-carbohydrazide core is described. In an ex vivo assay in gerbil, the lead compound 2g occupies receptors within the CNS following oral dosing (Occ(90) 30 mg/kg po; plasma Occ(90) 0.95 mu M) and has good selectivity and promising PK properties. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.08.086

文献信息

• Quinoline derivatives as neurokinin receptor antagonists
  申请人：Carling William Robert

  公开号：US20090054440A1

  公开（公告）日：2009-02-26

  The present invention relates to substituted quinoline hydrazides of Formula (I): wherein R 1 , R 2 , R 3 , R 4 , R 5 , X, Y and Z are defined herein, pharmaceutical compositions comprising them and their use in treating diseases mediated by neurokinin-2 and/or neurokinin-3 (NK-3) receptors. These compounds can thus be used in methods of treatment to suppress and treat such disorders.

  本发明涉及式(I)所示的取代喹啉酰肼：其中R1、R2、R3、R4、R5、X、Y和Z在此定义，包含它们的药物组合物及其在治疗由神经激肽-2和/或神经激肽-3 (NK-3)受体介导的疾病中的用途。因此，这些化合物可用于治疗方法，以抑制和治疗这些疾病。
• Quinoline Derivatives as Neurokinin Receptor Antagonists
  申请人：Carling Robert William

  公开号：US20080096885A1

  公开（公告）日：2008-04-24

  The present invention relates to substituted quinoline-4-carboxylic acid hydrazides defined herein, pharmaceutical compositions comprising them and their use in treating diseases mediated by neurokinin-2 and/or neurokinin-3 (NK-3) receptors.

  本发明涉及在此定义的取代的喹啉-4-羧酸肼类化合物、包含它们的制药组合物以及它们在治疗通过神经激肽-2和/或神经激肽-3（NK-3）受体介导的疾病中的应用。
• [EN] QUINOLINE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS<br/>[FR] DERIVES DE QUINOLINE SERVANT D'ANTAGONISTES DE RECEPTEURS DE NEUROKININE
  申请人：MERCK SHARP & DOHME

  公开号：WO2006013393A3

  公开（公告）日：2006-04-20