1-tert-butylsulfanyl-3,3-dimethyl-butan-2-one | 39199-16-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-tert-butylsulfanyl-3,3-dimethyl-butan-2-one
• 英文别名: 3,3-dimethyl-1-tert-butylthio-2-butanone；3,3-Dimethyl-1-tert.-butylthio-2-butanone；1-tert-butylsulfanyl-3,3-dimethylbutan-2-one
• CAS: 39199-16-1
• 化学式: C₁₀H₂₀OS
• mdl: MFCD12145875
• 分子量: 188.334
• InChiKey: CJKUNXUJTQHXIB-UHFFFAOYSA-N

物化性质

• 沸点：
  233.6±23.0 °C(Predicted)
• 密度：
  0.919±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  叔丁基硫醇 、 1-溴频哪酮 生成 1-tert-butylsulfanyl-3,3-dimethyl-butan-2-one
  参考文献：
  名称：

  574.有机硫化物的氧化。第十二部分。酮硫醚和酮硫醚对角鲨烯自氧化的抑制作用

  摘要：

  DOI：

  10.1039/jr9620002959

文献信息

• CYTOTOXIC AGENTS COMPRISING NEW ANSAMITOCIN DERIVATIVES
  申请人：ImmunoGen, Inc.

  公开号：US20160058882A1

  公开（公告）日：2016-03-03

  New ansamitocin derivatives bearing a linking group are disclosed. Also disclosed are methods for the synthesis of these new ansamitocin derivatives and methods for their linkage to cell-binding agents. The ansamitocin derivative-cell-binding agent conjugates are useful as therapeutic agents, which are delivered specifically to target cells and are cytotoxic. These conjugates display vastly improved therapeutic efficacy in animal tumor models compared to the previously described agents.

  披露了带有连接基团的新型安沙米托辛衍生物。还披露了合成这些新型安沙米托辛衍生物的方法以及它们与细胞结合剂的连接方法。安沙米托辛衍生物-细胞结合剂偶联物作为治疗剂非常有用，它们能特异性地传递到目标细胞并具有细胞毒性。与先前描述的药物相比，这些偶联物在动物肿瘤模型中显示出显著提高的治疗效果。
• Azide
  申请人：Diamond Shamrock Corporation

  公开号：US03932471A1

  公开（公告）日：1976-01-13

  Carbamate derivatives of ketoximes are useful in combatting pests such as insects, mites, and nematodes.

  肼酮的氨基甲酸酯衍生物对于对抗昆虫、螨和线虫等害虫具有实用价值。
• Ketoxime carbamates
  申请人：Diamond Shamrock Corporation

  公开号：US04154732A1

  公开（公告）日：1979-05-15

  Carbamate derivatives of ketoximes are useful in combatting pests such as insects, mites, and nematodes.

  羰酸酯化酮肟类衍生物可用于对抗害虫，如昆虫、螨和线虫。
• IDENTIFICATION AND USE OF SMALL MOLECULES TO MODULATE TRANSCRIPTION FACTOR FUNCTION AND TO TREAT TRANSCRIPTION FACTOR ASSOCIATED DISEASES
  申请人：Oettgen Peter

  公开号：US20110071142A1

  公开（公告）日：2011-03-24

  The present invention relates to methods of identifying small molecule candidate agents capable of modulating transcription factor function such that the function/expression of a target transcription factor and/or proteins downstream of this target protein comprises the screening of small molecule libraries using in silico high throughput docking for candidate small molecules/agents that are selectively identified for their ability to target and disrupt the transcription factor-DNA interface through unique transcription factor and/or DNA descriptors that are defined within a pharmacophore, and then testing/evaluating the candidate agents identified above through one or more in vitro assays for their ability to modulate transcription factor function including expression of this target protein and/or proteins that are downstream of the target transcription factor. The present invention also relates to various compounds described herein (e.g., a compound of Formula XI), their pharmaceutically acceptable salts and to methods of using said compounds as described herein.
• CONJUGATED MOLECULES COMPRISING A PEPTIDE DERIVED FROM THE CD4 RECEPTOR COUPLED TO A POLYANION FOR THE TREATMENT OF AIDS
  申请人：Baleux Françoise

  公开号：US20110105412A1

  公开（公告）日：2011-05-05

  This invention relates to a conjugated molecule comprising a peptide derived from the CD4 receptor coupled to an organic molecule by means of a linker as well as a process for its preparation. Such a conjugated molecule can be used in antiviral treatment, namely in the treatment of AIDS.