1-(isopropylthio)-2-methoxybenzene | 34257-57-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(isopropylthio)-2-methoxybenzene
• 英文别名: 2-(isopropylthio)methoxybenzene；Isopropyl-(2-methoxy-phenyl)-sulfid；2-(Isopropylthio)-1-methoxybenzene；1-methoxy-2-propan-2-ylsulfanylbenzene
• CAS: 34257-57-3
• 化学式: C₁₀H₁₄OS
• mdl: MFCD26142712
• 分子量: 182.287
• InChiKey: HMEXWXWOVBCHJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  34.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(isopropylthio)-2-methoxybenzene 在 镍 正丁基锂 、 cesium fluoride 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 3-甲氧基苯甲酸
  参考文献：
  名称：

  Metalation reactions. XIV. Regiospecific preparation of polysubstituted benzenes mono- or di-lithiation reactions of aromatic thioethers

  摘要：

  DOI：

  10.1016/s0040-4020(01)81368-5
• 作为产物：
  描述：

  2-甲氧基苯硫酚 、 2-溴丙烷 在 hydroxide 作用下， 生成 1-(isopropylthio)-2-methoxybenzene
  参考文献：
  名称：

  The ultraviolet absorption spectra of alkyl o-methoxyphenyl sulphides, and oxa-thiaheterocycles, and of their sulphones

  摘要：

  DOI：

  10.1016/0584-8539(71)80096-x

文献信息

• Metalation reactions. IX. Dilithiation of aromatic thioethers
  作者：Salvatore Cabiddu、Costantino Floris、Stefana Melis

  DOI：10.1016/s0040-4039(00)85022-4

  日期：——

  Direct dimetalation of aromatic thioethers gives with good yield the dilithiated species , , , , , . The first four species allowed the simultaneous introduction of an electrophile in the thiomethyl group and in the ring, while the last two species undergo disubstitution in the ring.

  芳硫醚的直接dimetalation给人以良好的产量二锂种，，，，，。前四个物种允许在硫代甲基基团和环中同时引入亲电试剂，而后两个物种在环中发生破坏。
• Metalations of alkoxyalkylthiobenzenes
  作者：S. Cabiddu、S. Melis、P.P. Piras、M. Secci

  DOI：10.1016/s0022-328x(00)93716-1

  日期：1977.6

  Metalation of o-, m- and p-alkoxyalkylthiobenzenes with n-butyllithium is examined. The analysis of the products shows that in the o-compound only a thiomethyl hydrogen is replaced, while in the other compounds studied a ring hydrogen ortho to the alkoxylic group is replaced. The metalation has a low steric requirement.

  的金属化ø， -米-和p与正丁基锂-alkoxyalkylthiobenzenes检查。产物的分析表明，在o-化合物中仅取代了硫代甲基氢，而在其他化合物中，对邻于烷氧基的环氢进行了取代。金属化具有低空间要求。
• HISTONE DEACETYLASE INHIBITORS
  申请人：Bradner James Elliot

  公开号：US20100056588A1

  公开（公告）日：2010-03-04

  In recognition of the need to develop novel therapeutic agents, the present invention provides novel histone deacetylase inhibitors. These compounds include an ester bond making them sensitive to deactivation by esterases. Therefore, these compounds are particularly useful in the treatment of skin disorders. When the compounds reaches the bloodstream, an esterase or an enzyme with esterase activity cleaves the compound into biologically inactive fragments or fragments with greatly reduced activity Ideally these degradation products exhibit a short serum and/or systemic half-life and are eliminated rapidly. These compounds and pharmaceutical compositions thereof are particularly useful in treating cutaneous T-cell lymphoma, neurofibromatosis, psoriasis, hair loss, skin pigmentation, and dermatitis, for example. The present invention also provides methods for preparing compounds of the invention and intermediates thereto.

  为了开发新型治疗剂，本发明提供了新型组蛋白去乙酰化酶抑制剂。这些化合物包括酯键，使它们对酯酶的失活敏感。因此，这些化合物在治疗皮肤疾病方面特别有用。当这些化合物进入血液循环时，酯酶或具有酯酶活性的酶将其裂解成生物学上不活性的碎片或具有大大降低活性的碎片。理想情况下，这些降解产物表现出短的血清和/或系统半衰期，并迅速被排出体外。这些化合物及其制剂在治疗切除性T细胞淋巴瘤、神经纤维瘤、银屑病、脱发、皮肤色素沉着和皮炎等方面特别有用。本发明还提供了制备本发明化合物及其中间体的方法。
• Dioxanes and uses thereof
  申请人：Schreiber Stuart L.

  公开号：US20080269245A1

  公开（公告）日：2008-10-30

  In recognition of the need to develop novel therapeutic agents and efficient methods for the synthesis thereof, the present invention provides novel compounds of general formula (I): and pharmaceutically acceptable derivatives thereof, wherein R 1 , R 2 , R 3 , n, X and Y are as defined herein. The present invention also provides pharmaceutical compositions comprising a compound of formula (I) and a pharmaceutically acceptable carrier. The present invention further provides compounds capable of inhibiting histone deacetylatase activity and methods for treating disorders regulated by histone deacetylase activity (e.g., cancer and protozoal infections) comprising administering a therapeutically effective amount of a compound of formula (I) to a subject in need thereof. The present invention additionally provides methods for modulating the glucose-sensitive subset of genes downstream of Ure2p. The present invention also provides methods for preparing compounds of the invention.

  鉴于需要开发新型治疗剂和高效合成方法，本发明提供了一般式（I）的新化合物及其药学上可接受的衍生物，其中R1、R2、R3、n、X和Y的定义如本文所述。本发明还提供了包含式（I）化合物和药学上可接受载体的药物组合物。本发明还提供了能够抑制组蛋白去乙酰化酶活性的化合物以及用于治疗由组蛋白去乙酰化酶活性调节的疾病（例如癌症和原虫感染）的方法，包括向需要的受体中投与一定量的式（I）化合物。本发明还提供了调节Ure2p下游葡萄糖敏感基因亚群的方法。本发明还提供了制备本发明化合物的方法。
• Histone deacetylase inhibitors
  申请人：President & Fellows of Harvard College

  公开号：US10172821B2

  公开（公告）日：2019-01-08

  In recognition of the need to develop novel therapeutic agents, the present invention provides novel histone deacetylase inhibitors. These compounds include an ester bond making them sensitive to deactivation by esterases. Therefore, these compounds are particularly useful in the treatment of skin disorders. When the compounds reaches the bloodstream, an esterase or an enzyme with esterase activity cleaves the compound into biologically inactive fragments or fragments with greatly reduced activity Ideally these degradation products exhibit a short serum and/or systemic half-life and are eliminated rapidly. These compounds and pharmaceutical compositions thereof are particularly useful in treating cutaneous T-cell lymphoma, neurofibromatosis, psoriasis, hair loss, skin pigmentation, and dermatitis, for example. The present invention also provides methods for preparing compounds of the invention and intermediates thereto.

  考虑到开发新型治疗药物的需要，本发明提供了新型组蛋白去乙酰化酶抑制剂。这些化合物包括一个酯键，使其对酯酶的失活敏感。因此，这些化合物特别适用于治疗皮肤疾病。当这些化合物进入血液后，酯酶或具有酯酶活性的酶会将化合物裂解为无生物活性的片段或活性大大降低的片段，理想情况下，这些降解产物的血清和/或全身半衰期很短，并能迅速消除。这些化合物及其药物组合物尤其适用于治疗皮肤 T 细胞淋巴瘤、神经纤维瘤病、银屑病、脱发、皮肤色素沉着和皮炎等。本发明还提供了制备本发明化合物及其中间体的方法。