4-tert-butylphenyl tert-butyl sulfone | 25752-65-2

• 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: 4-tert-butylphenyl tert-butyl sulfone
• 英文别名: t-Butyl 4-t-butylphenyl sulfone；1-tert-butyl-4-tert-butylsulfonylbenzene
• CAS: 25752-65-2
• 化学式: C₁₄H₂₂O₂S
• 分子量: 254.393
• InChiKey: HGIKUXPOATYUQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-tert-butylphenyl tert-butyl sulfone 在 正丁基锂 、 碘 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以78%的产率得到2-(tert-butylsulfonyl)-5-tert-butyliodobenzene
  参考文献：
  名称：

  Enhancing the solubility for hypervalent ortho-sulfonyl iodine compounds

  摘要：

  The synthesis and characterization of new hypervalent iodine reagents ArINTs (2a), ArIO (3a), and ArIO(2) (4a) (Ar=2-tert-butylsulfonyl-5-tert-butylphenyl) are described. These reagents are compared to previously reported analogous set of reagents Ar=2-tert-butylsulfonylphenyl and found to have significantly enhanced solubility and similar chemical reactivity. The X-ray crystal structures of 4a and of ArI (1a) (Ar=2-tert-butylsulfonyl-5-tert-butylphenyl) are discussed and compared. These reagents find use in atom and group transfer reactions. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.04.087
• 作为产物：
  描述：

  4-叔丁基苯基叔丁基硫醚 在 双氧水 、 溶剂黄146 作用下， 生成 4-tert-butylphenyl tert-butyl sulfone
  参考文献：
  名称：

  Karpenko,R.G. et al., Journal of Organic Chemistry USSR (English Translation), 1969, vol. 5, p. 1945 - 1949

  摘要：

  DOI：

文献信息

• BINDING INHIBITORS OF THE BETA. TRANSDUCIN REPEAT-CONTAINING PROTEIN
  申请人：Bradley Mark

  公开号：US20190106460A1

  公开（公告）日：2019-04-11

  The present invention relates to compounds which bind to Beta Trans-ducin repeat-containing protein (βTrCP), and modulate the activity of βTrCP. In particular, the invention relates to compounds which demonstrate optimised binding to PTrCP. The invention also relates to pharmaceutical compositions comprising such compounds and the use of such compounds as medicaments, specifically for the treatment of disorders associated with aberrant protein degradation, such as cancer. The preferred binding inhibitors are peptides derived from the motive DSGXXS, e.g. DEGFWE, DDGFWD and Succinyl-EGFWE.

  本发明涉及与Beta Trans-ducin重复含蛋白（βTrCP）结合并调节βTrCP活性的化合物。特别是，本发明涉及表现出对PTrCP优化结合的化合物。本发明还涉及包含这种化合物的制药组合物以及将这种化合物用作药物的用途，特别是用于治疗与异常蛋白降解相关的疾病，如癌症。首选的结合抑制剂是从DSGXXS动机中派生的肽，例如DEGFWE，DDGFWD和Succinyl-EGFWE。
• 1,4-Bis(alkylsulfonyl)benzenes. A new and unexpected cathodic cleavage leading to the corresponding phenoxy ions
  作者：Jacques Simonet、Olivier Fourets、Jean-François Pilard

  DOI：10.1016/s0040-4039(00)00049-6

  日期：2000.3

  1,4-Bis(alkylsulfonyl)benzenes 2 exhibit the formation of a fairly stable anion radical under cathodic electron transfer. Its fragmentation leads both to 1-alkylsulfonyl-4-alkyl benzenes (ipso substitution) and 4-alkylsulfonylphenoxy ions, the presence of the latter suggesting a new mode of cleavage for strongly activated sulfones.

  1,4-双（烷基磺酰基）苯2在阴极电子转移下表现出相当稳定的阴离子自由基的形成。它的断裂同时导致1-烷基磺酰基-4-烷基苯（ipso取代）和4-烷基磺酰基苯氧基离子，后者的存在提示了强活化砜裂解的新模式。
• PROTEASE INHIBITORS
  申请人：Mutz Mitchell W.

  公开号：US20120041019A1

  公开（公告）日：2012-02-16

  Compounds useful as protease inhibitors are provided, as are methods of use and preparation of such compounds and compositions containing such compounds. In one embodiment, the compounds are useful for inhibiting HIV protease enzymes, and are therefore useful in slowing the proliferation of HIV.

  本发明提供了一些有用的蛋白酶抑制剂化合物，以及使用和制备这些化合物的方法和含有这些化合物的组合物。在一种实施方式中，这些化合物可用于抑制HIV蛋白酶酶，因此可用于减缓HIV的增殖。
• Substituted pyrazino[1′,2′:1 ,5]pyrrolo[2,3-b]indole-1,4-diones for cancer treatment
  申请人：Massachusetts Institute of Technology

  公开号：US10220099B2

  公开（公告）日：2019-03-05

  The synthesis of various pyrazino[1′,2′:1,5]pyrrolo[2,3-b]-indole-1,4-dione analogs has been successfully implemented in the present application. From these efforts, compounds having the structure of Formula I-c: or a pharmaceutically acceptable salt, tautomer, or stereoisomer thereof, wherein R1, R2, R4-R8, R3′, R6′, and n are as defined herein, are provided. These biologically active derivatives have been further used to prepare cell-specific drug conjugates effective in treating various diseases including cancer.

  本申请成功合成了各种吡嗪并[1′,2′:1,5]吡咯并[2,3-b]-吲哚-1,4-二酮类似物。通过这些努力，制备出了具有式 I-c 结构的化合物： 或其药学上可接受的盐、同系物或立体异构体，其中 R1、R2、R4-R8、R3′、R6′ 和 n 如本文所定义。这些具有生物活性的衍生物已被进一步用于制备细胞特异性药物共轭物，可有效治疗包括癌症在内的各种疾病。
• Compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same
  申请人：CHONG KUN DANG PHARMACEUTICAL CORP.

  公开号：US10287255B2

  公开（公告）日：2019-05-14

  A compound of formula (I), having histone deacetylase 6 (HDAC6) inhibitory activity, wherein X, Q, N, R1, R2, L, and n are as described, isomers thereof, or pharmaceutically acceptable salts thereof, the use thereof for the preparation of therapeutic medicaments, pharmaceutical compositions comprising the same, a method of treating disease using the composition, and methods for preparing the novel compounds. The novel compounds according to the present invention have histone deacetylase 6 (HDAC6) inhibitory activity, and are effective for the prevention or treatment of HDAC6-associated diseases, including cancer, inflammatory diseases, autoimmune diseases, neurological diseases and neurodegenerative disorders.

  具有组蛋白去乙酰化酶 6 (HDAC6) 抑制活性的式 (I) 化合物、 其中X、Q、N、R1、R2、L和n如所述，其异构体或其药学上可接受的盐、其用于制备治疗药物的用途、包含其的药物组合物、使用该组合物治疗疾病的方法以及制备该新型化合物的方法。根据本发明的新型化合物具有组蛋白去乙酰化酶6（HDAC6）抑制活性，可有效预防或治疗HDAC6相关疾病，包括癌症、炎症性疾病、自身免疫性疾病、神经系统疾病和神经退行性疾病。