bis-[(p-methoxybenzyl)cyclopentadienyl]vanadium(IV) dichloride | 1158001-32-1

• 英文名称: bis-[(p-methoxybenzyl)cyclopentadienyl]vanadium(IV) dichloride
• 英文别名: (η5-C5H4CH2C6H4-4-OMe)2VCl2；Vanadocene Y
• CAS: 1158001-32-1
• 化学式: C₂₆H₂₆Cl₂O₂V
• 分子量: 492.339
• InChiKey: UGPRHTZQFASFLD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  bis-[(p-methoxybenzyl)cyclopentadienyl]vanadium(IV) dichloride 、 potassium selenocyanate 以 四氢呋喃 为溶剂， 以80.9%的产率得到bis-[(p-methoxybenzyl)cyclopentadienyl]vanadium(IV) diselenocyanate
  参考文献：
  名称：

  Antitumor activity of vanadocene Y and its selenocyanate derivative in xenografted caki-1 tumors in mice

  摘要：

  The para-methoxybenzyl-substituted vanadocene dichloride (Vanadocene Y) (1) and its diselenocyanate (Selenocyanato-Vanadocene Y) (2) were tested in vitro in an anti-angiogenesis assay against human umbilical vein endothelial cells (HUVEC) delivering IC50 values of 0.92 +/- 0.03 mu M (1) and 37 +/- 11 mu M (2). In a cytotoxicity assay against the human renal cancer cells, CAKI-1, the compounds demonstrated IC50 values of 0.55 +/- 0.09 mu M (1) and 0.25 +/- 0.03 mu M (2). Then both compounds were given at their maximum tolerable dose, MTD, of 20 mg/kg/d (1) or 40 mg/kg/d (2) on four consecutive days or at 50% of the MTD on five consecutive days per week for three weeks to overall four cohorts of eight CAKI-1 tumor-bearing female NMRI:nu/nu mice each, while a further cohort was treated with solvent only. Both MTD-treated mouse cohorts showed a statistically significant tumor growth reduction with respect to the solvent-treated control group with an optimal T/C value of 47% on day 39 of the experiment. Immunohistological analysis revealed that the expression of the proliferation marker Ki-67 was reduced due to long-term treatment with 2. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2010.01.026
• 作为产物：
  描述：

  4-methoxybenzylcyclopentadienyl lithium 、 四氯化钒 以 四氢呋喃 为溶剂， 以48%的产率得到bis-[(p-methoxybenzyl)cyclopentadienyl]vanadium(IV) dichloride
  参考文献：
  名称：

  新型苄基取代的钒金属抗癌药

  摘要：

  由6-（对甲氧基苯基）富烯（1a），6-（3,4-二甲氧基苯基）富烯（1b）和6-（3,4,5-三甲氧基苯基）富烯（1c）与LiBEt 3 H反应，合成了锂化的环戊二烯中间体（2a – c）。然后将这些中间体用VCl 4过渡金属化为钒，得到苄基取代的钒钒双氯化双-[（（对甲氧基苄基）环戊二烯基]钒二氯化钒（3a），双-[（（3,4-二甲氧基苄基）环戊二烯基]钒（ IV）二氯化物（3b）和双-[（3,4,5-三甲氧基苄基）环戊二烯基]二氯化钒（IV）（3c）。通过单晶X射线衍射表征了两个钒钒陶瓷3a和3c。通过基于MTT的LLC-PK（猪肾上皮）细胞系初步体外测试，对所有三种钒氮烯类的细胞毒性进行了研究，以确定它们的IC50值并将其与相应的二茂钛二氯化物衍生物进行比较。Vanadocenes 3b – c的IC50值为9.1和8.3μM ，而3a的IC50值则为3.0μM 。

  DOI：

  10.1016/j.jorganchem.2008.12.033

文献信息

• Synthesis, characterization and cytotoxic effect of ring-substituted and ansa-bridged vanadocene complexes
  作者：Jan Honzíček、Iva Klepalová、Jaromír Vinklárek、Zdeňka Padělková、Ivana Císařová、Pavel Šiman、Martina Řezáčová

  DOI：10.1016/j.ica.2011.03.034

  日期：2011.7

  The cytotoxic effect of vanadocene dichloride (Cp2VCl2, 1) and its ring-substituted, (eta(5)-C5H4Me)(2)VCl2 (2), (eta(5)-C5Me5)(2)VCl2 (3), (eta 5-C5H4R)(2)VCl2 (4: R = MeOCH2CH2-, 5: R = 2-MeOC6H4CH2-, 6: R = 4-MeOC6H4CH2-) and ansa-bridged analogs Me2C(eta(5)-C5H4)(2)VCl2 (7) and Me4C2(eta(5)-C5H4)(2)VCl2 (8) was investigated. Synthesis of two new methoxy-functionalized compounds (4 and 5) is described. They were characterized by spectroscopic methods and X-ray diffraction analysis. The cytotoxicity studies were performed with leukemic cells MOLT-4. (C) 2011 Elsevier B. V. All rights reserved.