4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide vanillate | 862366-35-6

• 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: 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide vanillate
• 英文别名: 4-hydroxy-3-methoxybenzoic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
• CAS: 862366-35-6
• 化学式: C₈H₈O₄*C₂₉H₃₁N₇O
• 分子量: 661.761
• InChiKey: GNFWWYXNILKJIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.69
• 重原子数：
  49
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  153
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  香草酸 、 伊马替尼 以 乙醇 为溶剂， 生成 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide vanillate
  参考文献：
  名称：

  [EN] SALT FORMS OF 4-(4-METHYLPIPERAZIN-1-YLMETHYL)-n-[4-METHYL-3-(4-PYRIDIN-3-YL)PYRIMIDIN-2-YLAMINO)PHENYL]-BENZAMIDE
  [FR] FORMES SALINES DE 4-(4-METHYLPIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL)PYRIMIDIN-2-YLAMINO)PHENYL]-BENZAMIDE

  摘要：

  公开号：

  WO2005075454A3

文献信息

• Salt Forms of 4- (4-Methylpiperazin-1-Ylmethyl) -N- [4-Methyl-3- (4-Pyridin-3-Yl) Pyrimidin-2-Ylamino) Phenyl]- Benzamide
  申请人：Burger Hans Michael

  公开号：US20080249104A1

  公开（公告）日：2008-10-09

  The present invention relates to acid addition salts of 4-[(4-methyl-1-piperazinyl)methyl]-N-(4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide, which are selected from the group consisting of a tartrate salt, such as a (D)(−) tartrate salt or a (L)(+) tartrate salt, a hydrochloride salt, a citrate salt, a malate salt, a fumarate salt, a succinate salt, a benzoate salt, a benzenesulfonate salt, a pamoate salt, a formate salt, a malonate salt, a 1,5-naphthalenedisulfonate salt, a salicylate salt, a cyclohexanesulfamate salt, a lactate salt, a mandelate salt, aq glutarate salt, an adipate salt, a squarate salt, a vanillate salt, an oxaloacetate salt, an ascorbate salt and a sulfate salt.

  本发明涉及4-[(4-甲基-1-哌嗪基)甲基]-N-(4-甲基-3-[[4-(3-吡啶基)-2-嘧啶基]氨基]苯基)-苯甲酰胺的酸盐，所述酸盐选自酒石酸盐，例如(D)(−)酒石酸盐或(L)(+)酒石酸盐，盐酸盐，柠檬酸盐，苹果酸盐，富马酸盐，琥珀酸盐，苯甲酸盐，苯磺酸盐，帕莫酸盐，甲酸盐，马来酸盐，1,5-萘二磺酸盐，水杨酸盐，环己烷磺酸盐，乳酸盐，曼德酸盐，谷酸盐，己二酸盐，方酸盐，香草酸盐，草酸盐和硫酸盐。
• Salt forms of 4-(4-Methylpiperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl) pyrimidin-2-ylamino)phenyl]-benzamide
  申请人：Bürger Hans Michael

  公开号：US20120142697A1

  公开（公告）日：2012-06-07

  The present invention relates to acid addition salts of 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide, which are selected from the group consisting of a tartrate salt, such as a (D)(−) tartrate salt or a (L)(+) tartrate salt, a hydrochloride salt, a citrate salt, a malate salt, a fumarate salt, a succinate salt, a benzoate salt, a benzenesulfonate salt, a pamoate salt, a formate salt, a malonate salt, a 1,5-naphthalenedisulfonate salt, a salicylate salt, a cyclohexanesulfamate salt, a lactate salt, a mandelate salt, aq glutarate salt, an adipate salt, a squarate salt, a vanillate salt, an oxaloacetate salt, an ascorbate salt and a sulfate salt.

  本发明涉及4-[(4-甲基-1-哌嗪基)甲基]-N-[4-甲基-3-[[4-(3-吡啶基)-2-嘧啶基]氨基]苯基]-苯甲酰胺的酸加成盐，所述盐选自酒石酸盐，如(D)(−)酒石酸盐或(L)(+)酒石酸盐，盐酸盐，柠檬酸盐，苹果酸盐，富马酸盐，琥珀酸盐，苯甲酸盐，苯磺酸盐，帕莫酸盐，甲酸盐，丙二酸盐，1,5-萘二磺酸盐，水杨酸盐，环己烷磺酸盐，乳酸盐，曼德酸盐，谷酸盐，己二酸盐，方酸盐，香草酸盐，草酸盐和硫酸盐。
• Salt forms of 4-(4-Methylpiperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl)pyrimidin-2-ylamino)phenyl]-benzamide
  申请人：Bürger Hans Michael

  公开号：US20140051853A1

  公开（公告）日：2014-02-20

  The present invention relates to acid addition salts of 4-[(4-methyl-1-piperazinyl)methyl]-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-benzamide, which are selected from the group consisting of a tartrate salt, such as a (D)(−) tartrate salt or a (L)(+) tartrate salt, a hydrochloride salt, a citrate salt, a malate salt, a fumarate salt, a succinate salt, a benzoate salt, a benzenesulfonate salt, a pamoate salt, a formate salt, a malonate salt, a 1,5-naphthalenedisulfonate salt, a salicylate salt, a cyclohexanesulfamate salt, a lactate salt, a mandelate salt, aq glutarate salt, an adipate salt, a squarate salt, a vanillate salt, an oxaloacetate salt, an ascorbate salt and a sulfate salt.

  本发明涉及4-[(4-甲基-1-哌嗪基)甲基]-N-[4-甲基-3-[[4-(3-吡啶基)-2-嘧啶基]氨基]苯基]-苯甲酰胺的酸加成盐，所述盐选自酒石酸盐，例如(D)(−)酒石酸盐或(L)(+)酒石酸盐，盐酸盐，柠檬酸盐，苹果酸盐，富马酸盐，琥珀酸盐，苯甲酸盐，苯磺酸盐，泊甘酸盐，甲酸盐，马来酸盐，1,5-萘二磺酸盐，水杨酸盐，环己磺酸盐，乳酸盐，曼德酸盐，谷酸盐，己二酸盐，方酸盐，香草酸盐，草酸盐和硫酸盐。
• SALT FORMS OF 4-(4-METHYLPIPERAZIN-1-YLMETHYL)-n- 4-METHYL-3 -(4-PYRIDIN-3-YL)PYRIMIDIN-2-YLAMINO)PHENYL -BENZAMIDE
  申请人：Novartis AG

  公开号：EP1713792A2

  公开（公告）日：2006-10-25
• PHARMACEUTICAL COMPOSITIONS COMPRISING IMATINIB AND A RELEASE RETARDANT
  申请人：Novartis AG

  公开号：EP1888040A2

  公开（公告）日：2008-02-20