sodium dibenzyldithiocarbamate hydrate | 1082663-31-7

• 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: sodium dibenzyldithiocarbamate hydrate
• 英文别名: Dibenzyldithiocarbamic acid sodium salt hydrate；sodium;N,N-dibenzylcarbamodithioate;hydrate
• CAS: 1082663-31-7
• 化学式: C₁₅H₁₄NS₂*H₂O*Na
• 分子量: 313.42
• InChiKey: HYDUCTKILHGLPO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  sodium tetrachloroaurate(III) dihyrate 、 sodium dibenzyldithiocarbamate hydrate 以 甲醇 、 水 为溶剂， 反应 1.0h， 以88.51%的产率得到[Au(dibenzyldithiocarbamate)₂]Cl
  参考文献：
  名称：

  Synthesis, characterization and in vitro cytotoxicity of gold(iii) dialkyl/diaryldithiocarbamato complexes

  摘要：

  一系列六个双烷基/双芳基二硫代氨基甲酸盐（dtc）金（III）配合物[Au(R2dtc)2]Cl（1、3和5）和[Au(R2dtc)Cl2]（2、4和6）（R = 甲基、乙基和苄基）已合成，并评估其抗癌活性，结果显示具有良好的效果（EC50≈ 9.5 μM）。

  DOI：

  10.1039/c5ra15123f

文献信息

• GOLD(III) COMPLEXES AS ANTICANCER AGENTS AND A METHOD OF TREATING CANCER
  申请人：King Fahd University of Petroleum and Minerals

  公开号：US20190023721A1

  公开（公告）日：2019-01-24

  Gold(III) complexes containing mixed ligands. A method of treating cancer with these complexes is disclosed. The complexes are cytotoxic to prostate, breast, ovarian, and Hodgkin lymphoma cancer cell lines. These complexes were either more potent than cisplatin or had similar potency to cisplatin.

  含有混合配体的金(III)配合物。公开了使用这些配合物治疗癌症的方法。这些配合物对前列腺、乳腺、卵巢和霍奇金淋巴瘤癌细胞系具有细胞毒性。这些配合物要么比顺铂更有效，要么与顺铂具有类似的效力。
• BIPYRIDINE AND BIPYRIMIDINE GOLD(III) DITHIOCARBAMATE COMPLEXES AND METHODS OF TREATING CANCER
  申请人：King Fahd University of Petroleum and Minerals

  公开号：US20210061818A1

  公开（公告）日：2021-03-04

  A gold(III) complex of formula (I) or formula (II) wherein R 1 and R 2 are each independently a hydrogen, an optionally substituted alkyl, an optionally substituted cycloalkyl, an optionally substituted arylalkyl, or an optionally substituted aryl; R 3 and R 4 are each independently a hydrogen, an optionally substituted alkyl, an optionally substituted cycloalkyl, an optionally substituted arylalkyl, an optionally substituted aryl, an optionally substituted heterocyclyl, an optionally substituted alkoxy, a hydroxyl, a halo, a nitro, a cyano, a N-monosubstituted amino group, or a N,N-disubstituted amino group; and X is Cl, Br, or I. A pharmaceutical composition containing the gold(III) complex of formula (I) or (II), and a method of treating cancer are included.

  一种化学式(I)或化学式(II)的金(III)配合物，其中R1和R2分别独立地是氢、可选取代的烷基、可选取代的环烷基、可选取代的芳基烷基、或可选取代的芳基；R3和R4分别独立地是氢、可选取代的烷基、可选取代的环烷基、可选取代的芳基烷基、可选取代的芳基、可选取代的杂环烷基、可选取代的烷氧基、羟基、卤素、硝基、氰基、N-单取代氨基团，或N,N-双取代氨基团；X为Cl、Br或I。包含化学式(I)或(II)的金(III)配合物的药物组合物，以及治疗癌症的方法。
• Study on (Et4N)[VFe3S4(R2dtc)4] complexes with cubane-type cores
  作者：Yanshi Zhang、Qiutian Liu、Yuheng Deng、Hongping Zhu、Changneng Chen、Daizheng Liao、Jianzhong Cui

  DOI：10.1016/s0277-5387(99)00239-9

  日期：1999.10

  Abstract A series of cubane-type cluster compounds (Et4N)[VFe3S4(R2dtc)4] (R2=OC4H8 (1), C5H10 (2), C4H8 and Et2) and (Ph4P)[VFe3S4(Bz2dtc)4] have been synthesized from a self-assembly reaction system VS43−/FeCl2/R2dtc−/PhS− in DMF and characterized. A formation mechanism of the VFe3S4 cubane was suggested to contain a possible process in which linear intermediate [VS4(FeL2)2]3− was converted to incomplete

  摘要合成了一系列古巴型簇化合物（Et4N）[VFe3S4（R2dtc）4]（R2 = OC4H8（1），C5H10（2），C4H8和Et2）和（Ph4P）[VFe3S4（Bz2dtc）4]由DMF中的自组装反应系统VS43- / FeCl2 / R2dtc- / PhS-进行表征。有人建议VFe3S4古巴的形成机制包含一个可能的过程，其中线性中间体[VS4（FeL2）2] 3-被转化为不完全的古巴型中间体。1和（Et4N）[VFe3S4（Et2dtc）4]的1H NMR动力学研究显示，在DMSO溶液中可能伴随着Fe4S4（R2dtc）4的形成而发生金属交换。循环伏安图显示了介于1和2之间的相似电化学行为，分别由+0.35至+0.66 V的准可逆氧化还原电对和-0.35至-0.42 V和-0.75至-0.86 V的两个还原峰表示。化学位移为0.51到0。VFe3S4古巴人在Mossbauer
• Gold(III) complexes as anticancer agents and a method of treating cancer
  申请人：King Fahd University of Petroleum and Minerals

  公开号：US10385072B2

  公开（公告）日：2019-08-20

  Gold(III) complexes containing mixed ligands. A method of treating cancer with these complexes is disclosed. The complexes are cytotoxic to prostate, breast, ovarian, and Hodgkin lymphoma cancer cell lines. These complexes were either more potent than cisplatin or had similar potency to cisplatin.

  含有混合配体的金（III）络合物。本文公开了一种用这些配合物治疗癌症的方法。这些复合物对前列腺癌、乳腺癌、卵巢癌和霍奇金淋巴瘤细胞系具有细胞毒性。这些复合物的药效比顺铂强，或者与顺铂的药效相似。
• Bipyridine and bipyrimidine gold(III) dithiocarbamate complexes and methods of treating cancer
  申请人：King Fahd University of Petroleum and Minerals

  公开号：US11384100B2

  公开（公告）日：2022-07-12

  A gold(III) complex of formula (I) or formula (II) wherein R1 and R2 are each independently a hydrogen, an optionally substituted alkyl, an optionally substituted cycloalkyl, an optionally substituted arylalkyl, or an optionally substituted aryl; R3 and R4 are each independently a hydrogen, an optionally substituted alkyl, an optionally substituted cycloalkyl, an optionally substituted arylalkyl, an optionally substituted aryl, an optionally substituted heterocyclyl, an optionally substituted alkoxy, a hydroxyl, a halo, a nitro, a cyano, a N-monosubstituted amino group, or a N,N-disubstituted amino group; and X is Cl, Br, or I. A pharmaceutical composition containing the gold(III) complex of formula (I) or (II), and a method of treating cancer are included.

  式（I）或式（II）的金（III）络合物 其中 R1 和 R2 各自独立地为氢、任选取代的烷基、任选取代的环烷基、任选取代的芳烷基或任选取代的芳基；R3 和 R4 各自独立地是氢、任选取代的烷基、任选取代的环烷基、任选取代的芳烷基、任选取代的芳基、任选取代的杂环基、任选取代的烷氧基、羟基、卤代、硝基、氰基、N-单取代氨基或 N,N-二取代氨基；以及 X 是 Cl、Br 或 I。包括一种含有式（I）或（II）的金（III）络合物的药物组合物和一种治疗癌症的方法。