[Pt(2-(dimethylamino)phenyl-N,C)(2-amino-4-imino-2-methylpentane)](perchlorate) | 1073668-15-1

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: [Pt(2-(dimethylamino)phenyl-N,C)(2-amino-4-imino-2-methylpentane)](perchlorate)
• 英文别名: N,N-dimethyl-1-phenylmethanamine;4-imino-2-methylpentan-2-amine;platinum(2+);perchlorate
• CAS: 1073668-15-1
• 化学式: C₁₅H₂₆N₃Pt*ClO₄
• 分子量: 542.922
• InChiKey: DOLNEWXQVPGJOO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.06
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  127
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  [Pt(dmba)(DMSO)Cl] 、 氨 、 silver perchlorate 、 丙酮 以 氨 、 丙酮 为溶剂， 生成 [Pt(2-(dimethylamino)phenyl-N,C)(acetonimine)2](perchlorate) 、 [Pt(2-(dimethylamino)phenyl-N,C)(2-amino-4-imino-2-methylpentane)](perchlorate)
  参考文献：
  名称：

  Acetonimine and 4-Imino-2-methylpentan-2-amino Platinum(II) Complexes: Synthesis and in Vitro Antitumor Activity

  摘要：

  The reaction of [Pt(dmba)(PPh3)Cl] [where dmba = N,C-chelating 2-(dimethylaminomethyl)phenyl] with aqueous ammonia in acetone in the presence of AgClO4 gives the acetonimine complex [Pt(dmba)(PPh3)(NH=CMe2)]ClO4 (1). The reaction of [Pt(dmba)(DMSO)Cl] with aqueous ammonia in acetone in the presence of AgClO4 gives a mixture of (Pt(dmba)(NH=CMe2)(2)]ClO4 (2) and [Pt(dmba)(imam)]ClO4 (3a) (where imam = 4-imino-2-methylpentan-2-amino). [Pt(dmba)(DMSO)Cl] reacts with [Ag(NH=CMe2)(2)]ClO4 in a 1:1 molar ratio to give [Pt(dmba)(DMSO)(NH=CMe2)]ClO4 (4). The reaction of [Pt(dmba)(DMSO)Cl] with 20% aqueous ammonia in acetone at 70 degrees C in the presence of KOH gives [Pt(dmba)(CH2COMe)(NH=CMe2)] (5), whereas the reaction of [Pt(dmba)(DMSO)Cl] with 20% aqueous ammonia in acetone in the absence of KOH gives [Pt(dmba)(imam)]Cl (3b). The reaction of (NBu4](2)[Pt-2(C6F5)(4)(mu-Cl)(2)] with [Ag(NH=CMe2)(2)]ClO4 in a 1:2 molar ratio produces cis-[Pt(C6F5)(2)(NH=CMe2)(2)] (6). The crystal structures of 1 . 2Me(2)CO, 2, 3a, 5, and 6 have been determined. Values of IC50 were calculated for the new platinum complexes against a panel of human tumor cell lines representative of ovarian (A2780 and A2780cisR) and breast cancers (T47D). At 48 h incubation time complexes 1, 4, and 5 show very low resistance factors against an A2780 cell line which has acquired resistance to cisplatin. 1, 4, and 5 were more active than cisplatin in T47D (up to 30-fold in some cases). The DNA adduct formation of 1, 4, and 5 was followed by circular dichroism and electrophoretic mobility.

  DOI：

  10.1021/ic8012359