3-三-N-丁基锡烷基苯胺 | 124742-40-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-三-N-丁基锡烷基苯胺
• 中文别名: 3-(三丁基锡)苯胺
• 英文名称: 3-(tributylstannyl)aniline
• 英文别名: Benzenamine, 3-(tributylstannyl)-；3-tributylstannylaniline
• CAS: 124742-40-1
• 化学式: C₁₈H₃₃NSn
• 分子量: 382.177
• InChiKey: LOYGBPDRDCXDLK-UHFFFAOYSA-N

物化性质

• 沸点：
  416.0±47.0 °C(Predicted)
• 溶解度：
  溶于氯仿

计算性质

• 辛醇/水分配系数(LogP)：
  5.32
• 重原子数：
  20
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  7-氯-7-甲酰基庚酸乙酯 、 3-三-N-丁基锡烷基苯胺 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 3-tributylstannylanilide of monoethyl suberate
  参考文献：
  名称：

  WO2007/124435

  摘要：

  公开号：
• 作为产物：
  描述：

  六正丁基二锡 、 间溴苯胺 在 四(三苯基膦)钯 作用下， 以 甲苯 为溶剂， 反应 0.23h， 以82%的产率得到3-三-N-丁基锡烷基苯胺
  参考文献：
  名称：

  WO2007/124435

  摘要：

  公开号：

文献信息

• Substituted uracil derivatives as potent inhibitors of poly(ADP-ribose)polymerase-1 (PARP-1)
  作者：Henning Steinhagen、Michael Gerisch、Joachim Mittendorf、Karl-Heinz Schlemmer、Barbara Albrecht

  DOI：10.1016/s0960-894x(02)00602-9

  日期：2002.11

  A new class of PARP-1 inhibitors, namely substituted fused uracil derivatives were synthesised. Starting from a derivative with an IC(50)=2microM the chemical optimisation program led to compounds with more than a 100-fold increase in potency (IC(50)<20nM). Additionally, physicochemical and pharmacokinetic properties were evaluated. It could be shown that compounds bearing a piperazine or phenyl substituted

  合成了一类新的PARP-1抑制剂，即取代的稠合尿嘧啶衍生物。从IC（50）= 2microM的衍生物开始，化学优化程序导致化合物的效力增加了100倍以上（IC（50）<20nM）。另外，评估了理化和药代动力学性质。可以证明带有哌嗪或苯基取代的βAla-Gly侧链的化合物表现出最佳的整体性能。
• Radiohalogenated half-antibodies and maleimide intermediate therefor
  申请人：President and Fellows of Harvard College

  公开号：US04994557A1

  公开（公告）日：1991-02-19

  N-(m-radiohalophenyl) maleimide can be conjugated with a reduced antibody having a mercapto group to provide a radiolabelled half-antibody having immunological specific binding characteristics of whole antibody.

  N-(m-放射卤代苯基)马来酰亚胺可以与具有巯基的还原抗体结合，从而提供具有全抗体免疫特异结合特性的放射性标记的半抗体。
• Novel Non-nucleoside Inhibitors of Human Immunodeficiency Virus Type 1 (HIV-1) Reverse Transcriptase. 4. 2-Substituted Dipyridodiazepinones as Potent Inhibitors of Both Wild-Type and Cysteine-181 HIV-1 Reverse Transcriptase Enzymes
  作者：John R. Proudfoot、Karl D. Hargrave、Suresh R. Kapadia、Usha R. Patel、Karl G. Grozinger、Daniel W. McNeil、Ernest Cullen、Mario Cardozo、Liang Tong

  DOI：10.1021/jm00024a010

  日期：1995.11

  The major cause of viral resistance to the potent human immunodeficiency virus type 1 reverse transcriptase (RT) inhibitor nevirapine is the mutation substituting cysteine for tyrosine-181 in RT (Y181C RT), An evaluation, against Y181C RT, of previously described analogs of nevirapine revealed that the 2-chlorodipyridodiazepinone 16 is an effective inhibitor of this mutant enzyme. The detailed examination of the structure-activity relationship of 2-substituted dipyridodiazepinones presented below shows that combined activity against the wildtype and Y181C enzymes is achieved with aryl substituents at the 2-position of the tricyclic ring system. In addition, the substitution pattern at C-4, N-5, and N-11 of the dipyridodiazepinone ring system optimum for inhibition of both wild-type and Y181C RT is no longer the 4-methyl-11-cyclopropyl substitution preferred against the wild-type enzyme but rather the 5-methyl-11-ethyl (or 11-cyclopropyl) pattern. The more potent 8-substituted dipyridodiazepinones were evaluated against mutant RT enzymes (L100I RT, K103N RT, P236L RT, and E138K RT) that confer resistance to other non-nucleoside RT inhibitors, and compounds 42, 62, and 67, with pyrrolyl, aminophenyl, and aminopyridyl substituents, respectively, at the 2-position, were found to be effective inhibitors of these mutant enzymes also.
• Proudfoot; Patel; Kapadia, Journal of Medicinal Chemistry, 1995, vol. 38, # 8, p. 1406 - 1410
  作者：Proudfoot、Patel、Kapadia、Hargrave

  DOI：——

  日期：——
• WO2007/124435
  申请人：——

  公开号：——

  公开（公告）日：——