| 1442086-00-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• CAS: 1442086-00-1
• 化学式: C₆H₁₂NOS₂*Na
• 分子量: 201.289
• InChiKey: IPGLUKQFKZJYKE-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.48
• 重原子数：
  11.0
• 可旋转键数：
  3.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  23.47
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  、 bismuth(III) chloride 以 水 为溶剂， 以62.4 %的产率得到tris(N,N′‑isopropylethanoldithiocarbamato)bismuth(III)
  参考文献：
  名称：

  二硫代氨基甲酸铋(III)衍生物通过促进线粒体依赖性细胞凋亡途径并抑制MCF-7乳腺癌细胞侵袭的细胞毒性

  摘要：

  我们之前报道过二硫代氨基甲酸铋(III)衍生物二乙基二硫代氨基甲酸铋( 1 )在MCF-7细胞中通过内在途径诱导细胞凋亡时表现出更大的细胞毒性。我们进一步评估了其他二硫代氨基甲酸铋(III)衍生物Bi[S 2 CNR] 3 ，其中R = (CH 2 CH 2 OH)( i Pr)、(CH 2 ) 4和(CH 2 CH 2 OH)( CH 3 )，在相同的MCF-7细胞系中分别表示为2、3和4 。发现2 – 4的 IC 50值分别为 10.33 ± 0.06 µM、1.07 ± 0.01 µM 和 25.37 ± 0.12 µM，而顺铂的 IC 50 值为 30.53 ± 0.23 µM。通过线粒体依赖性途径促进细胞凋亡是由于细胞内活性氧 (ROS) 的升高、半胱天冬酶的促进、细胞色素c的释放、DNA 片段化以及在所有化合物处理的细胞中观察到的染色测定结果。 2 – 4还能够抑制 MCF-7

  DOI：

  10.1007/s00775-023-02041-x
• 作为产物：
  描述：

  二硫化碳 、 2-(异丙基氨)乙醇 在 sodium hydroxide 作用下， 以 丙酮 为溶剂， 以4.87 g的产率得到
  参考文献：
  名称：

  二硫代氨基甲酸铋(III)衍生物通过促进线粒体依赖性细胞凋亡途径并抑制MCF-7乳腺癌细胞侵袭的细胞毒性

  摘要：

  我们之前报道过二硫代氨基甲酸铋(III)衍生物二乙基二硫代氨基甲酸铋( 1 )在MCF-7细胞中通过内在途径诱导细胞凋亡时表现出更大的细胞毒性。我们进一步评估了其他二硫代氨基甲酸铋(III)衍生物Bi[S 2 CNR] 3 ，其中R = (CH 2 CH 2 OH)( i Pr)、(CH 2 ) 4和(CH 2 CH 2 OH)( CH 3 )，在相同的MCF-7细胞系中分别表示为2、3和4 。发现2 – 4的 IC 50值分别为 10.33 ± 0.06 µM、1.07 ± 0.01 µM 和 25.37 ± 0.12 µM，而顺铂的 IC 50 值为 30.53 ± 0.23 µM。通过线粒体依赖性途径促进细胞凋亡是由于细胞内活性氧 (ROS) 的升高、半胱天冬酶的促进、细胞色素c的释放、DNA 片段化以及在所有化合物处理的细胞中观察到的染色测定结果。 2 – 4还能够抑制 MCF-7

  DOI：

  10.1007/s00775-023-02041-x

文献信息

• N-(R)ethanolamine dithiocarbamate ligands and their Ni(II) and Pt(II) complexes. Evaluation of the in vitro anticancer activity of the Pt(II) derivatives
  作者：Ángel Ramos-Espinosa、Hugo Valdés、María Teresa Ramírez-Apan、Simón Hernández-Ortega、Bethsy Adriana Aguilar-Castillo、Reyna Reyes-Martínez、Juan Manuel Germán-Acacio、David Morales-Morales

  DOI：10.1016/j.ica.2017.07.035

  日期：2017.9

  A series of Ni(II) and Pt(II) complexes with DTC ligands including a hydrophilic ethanol moiety [N-(R) ethanolamine (R = Me(1), Et(2), iPr(3), Bn (4))] have been prepared and fully characterized. The antitumor activity of the Pt(II) derivatives has been evaluated against different cancer cell lines, showing complex 4-Pt (including N-(benzyl)ethanolamine DTC ligand DTC-4) to be the most active of the series, exhibiting 100% inhibition on glial cells of nervous central system (U251), leukaemia (K562), colon (HCT-15), breast (MCF-7) and lung (SKLU-1). Finally, the Ni(II) derivatives were explored as catalyst in Suzuki-Miyaura couplings, however only decomposition of the complexes was observed with null conversions to biphenyls. (C) 2017 Elsevier B.V. All rights reserved.
• Phosphanegold(I) dithiocarbamates, R3PAu[SC(S)N(iPr)CH2CH2OH] for R = Ph, Cy and Et: Role of phosphane-bound R substituents upon in vitro cytotoxicity against MCF-7R breast cancer cells and cell death pathways
  作者：Nazzatush Shimar Jamaludin、Zheng-Jie Goh、Yoke Kqueen Cheah、Kok-Pian Ang、Jiun Horng Sim、Chai Hoon Khoo、Zainal Abidin Fairuz、Siti Nadiah Binti Abdul Halim、Seik Weng Ng、Hoi-Ling Seng、Edward R.T. Tiekink

  DOI：10.1016/j.ejmech.2013.06.038

  日期：2013.9

  The synthesis and characterisation of R3PAu[S2CN(Pr-i)CH2CH2OH], for R = Ph (1), Cy (2) and Et (3)4, is reported. Compounds 1-3 are cytotoxic against the doxorubicin-resistant breast cancer cell line, MCF-7R, with 1 exhibiting greater potency and cytotoxicity than either of doxorubicin and cisplatin. Based on human apoptosis PCR-array analysis, caspase activities, DNA fragmentation, cell apoptotic assays, intracellular reactive oxygen species (ROS) measurements and human topoisomerase I inhibition, induction of apoptosis by 1, and necrosis by 2 and 3, are demonstrated, by both extrinsic and intrinsic pathways. Compound 1 activates the p53 gene, 2 activates only the p73 gene, whereas 3 activates both the p53 and p73 genes. Compounds 1 and 3 activate NF-kappa B, and each inhibits topoisomerase I. (C) 2013 Elsevier Masson SAS. All rights reserved.
• Supramolecular Isomerism in a Cadmium Bis(<i>N</i>-Hydroxyethyl, <i>N</i>-isopropyldithiocarbamate) Compound: Physiochemical Characterization of Ball (<i>n</i> = 2) and Chain (<i>n</i> = ∞) Forms of {Cd[S₂CN(iPr)CH₂CH₂OH]₂·solvent}_<i>n</i>
  作者：Yee Seng Tan、Anna L. Sudlow、Kieran C. Molloy、Yui Morishima、Kiyoshi Fujisawa、Wendy J. Jackson、William Henderson、Siti Nadiah Binti Abdul Halim、Seik Weng Ng、Edward R.T. Tiekink

  DOI：10.1021/cg400453x

  日期：2013.7.3

  Needles of [Cd[S2CN(ipr)CH2CH2OH](2)}(3)center dot MeCN](infinity) (2) were harvested from a dry acetonitrile solution of Cd[S2CN(iPr)-CH2CH2OH](2) after one or two days and proved to be a coordination polymer in which all dithiocarbamate ligands are mu(2),kappa(2)-tridentate, bridging two cadmium atoms and simultaneously chelating one of these. If the same solution was allowed to stand for at least several days, 2 is replaced by blocks comprising a supramolecular isomer of 2, dimeric 1, with formula Cd[S2CN(iPr)CH2CH2OH2]}(2)center dot 2H(2)O center dot 2MeCN, and two ligands coordination mu(2),kappa(2) as in 2 and the other two purely kappa(2)-chelating. The time dependency correlates with the pivotal role of water in driving the conversion of "chain" 2 to "ball" 1; crystals of 2 could not be isolated from "wet" acetonitrile. When each of 1 and 2 are dissolved in solution, they exhibit comparable spectroscopic attributes (H-1, C-13, and Cd-113 NMR and UV/vis), indicating the solution structures are the same. Both 1 and 2 are luminescent in the solid state with 1 being significantly brighter than 2. Greenockite Cds nanoparticles are generated by the thermal decomposition of both a and 2.