2,3-Dihydroxybutanedioic acid;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,3-Dihydroxybutanedioic acid;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
• 化学式: C54H74F2N6O10
• 分子量: 1005.2
• InChiKey: RGSULKHNAKTFIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.21
• 重原子数：
  72
• 可旋转键数：
  19
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  205
• 氢给体数：
  6
• 氢受体数：
  14

文献信息

• [EN] NEW CRYSTALLINE FORM OF PIMAVANSERIN TARTRATE, PREPARATION METHOD THEREFOR, AND USE<br/>[FR] NOUVELLE FORME CRISTALLINE DE TARTRATE DE PIMAVANSÉRINE, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION<br/>[ZH] 匹莫范色林酒石酸盐的新晶型及其制备方法和用途
  申请人：SHANGHAI BEGREAT PHARMATECH

  公开号：WO2018049836A1

  公开（公告）日：2018-03-22

  N-(4-氟苄基)-N-(1-甲基哌啶-4-基)-N'-[4-(2-甲基丙氧基)苯基甲基]脲酒石酸盐的多晶型III及其制备方法和药用用途。与现有晶型相比，新晶型在溶解度、稳定性和制备工艺方面具有明显优势。
• NOVEL POLYMORPH OF PIMAVANSERIN TARTRATE AND PREPARATION METHOD THEREOF AND USE OF SAME
  申请人：SHANGHAI BEGREAT PHARMATECH

  公开号：US20190084935A1

  公开（公告）日：2019-03-21

  A polymorph III of N-(4-fluorobenzyl)-N-(1-methylpiperidin-4-yl)-N′-[4-(2-methylpropoxy)phenylmethyl]urea tartrate, a preparation method therefor, and a medicinal use. Compared to the existing crystalline forms, the new crystalline form has clear advantages with respect to solubility, stability and the preparation process.
• DIAGNOSTIC METHOD
  申请人：TOLREMO THERAPEUTICS AG

  公开号：US20200325543A1

  公开（公告）日：2020-10-15

  The present invention is in the field of cancer diagnosis. In particular, the present invention relates to a method for determining in a cancer patient the risk of develop a resistance to chemical substances used in cancer therapy. The invention furthermore provides a novel combination therapy for patients that have been diagnosed to develop drug resistance against chemical substances used for treating cancer.