3-tert-butylsulfanyl-1,2,4-triazole | 1380786-15-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3-tert-butylsulfanyl-1,2,4-triazole
• 英文别名: 5-tert-butylsulfanyl-1H-1,2,4-triazole
• CAS: 1380786-15-1
• 化学式: C₆H₁₁N₃S
• 分子量: 157.239
• InChiKey: AIMJTEOJXCFQEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  66.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-巯基-1,2,4-三氮唑 、 叔丁醇 在 高氯酸 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 3.0h， 以87%的产率得到3-tert-butylsulfanyl-1,2,4-triazole
  参考文献：
  名称：

  氨基和巯基1,2,4-三唑与t -BuOH–HClO 4的区域选择性烷基化

  摘要：

  已经研究了氨基和巯基1,2,4-三唑在t -BuOH-HClO 4系统中的行为。下，在环内的N1原子而1,2,4-三唑-3-硫醇经受的3-氨基-1,2,4-三唑进行所研究的条件下的单烷基化小号-叔-butylation。上述三唑的彻底烷基化产生二叔丁基取代的衍生物，其在碱的作用下得到1，3-二取代的三唑。4-氨基-1,2,4-三唑在氨基以及内环N1原子上进行烷基化反应，得到1,4-二取代的三唑鎓盐。5-叔丁基硫烷基-1,2,4-三唑，1-叔丁基醚的X射线衍射研究-丁基-3-叔丁基氨基-1,2,4-三唑-4-基，1-叔丁基-3-叔硫烷基-1,2,4-三唑-4-基和1-叔-进行了4-叔丁基氨基-1,2,4-三唑鎓高氯酸丁酯。

  DOI：

  10.1016/j.tet.2012.04.063

文献信息

• Dioxanes and uses thereof
  申请人：——

  公开号：US20040072849A1

  公开（公告）日：2004-04-15

  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): 1 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有效的合成方法，本发明提供了一般式(I)的新化合物： 1 及其药学上可接受的衍生物，其中R 1 ，R 2 ，R 3 ，n，X和Y如本文所定义。本发明还提供了包含一种式(I)化合物和药学上可接受的载体的药物组合物。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治疗由组蛋白去乙酰化酶活性调节的疾病的方法（例如，癌症和原虫感染），包括向需要的受体施用一种式(I)化合物的治疗有效量。本发明还提供了调节Ure2p下游葡萄糖敏感基因子集的方法。本发明还提供了制备本发明化合物的方法。
• HISTONE DEACETYLASE INHIBITORS
  申请人：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。
• IMIDAZO[1,2-a]PYRIDINE COMPOUNDS
  申请人：Fang Qun Kevin

  公开号：US20110166146A1

  公开（公告）日：2011-07-07

  Imidazo[1,2-a]pyridines are disclosed. Compounds of the invention are useful therapeutic agents and their inclusion in pharmaceutical formulations and use in methods of treatment are disclosed.

  本发明揭示了咪唑并[1,2-a]吡啶类化合物。该发明的化合物是有用的治疗剂，揭示了它们在制药配方中的包含以及在治疗方法中的使用。
• 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。
• Compounds for use as GPR120 agonists
  申请人：PIRAMAL ENTERPRISES LIMITED

  公开号：US10227360B2

  公开（公告）日：2019-03-12

  The present invention relates to a compound of formula (I), or a tautomer, stereoisomer, geometrical isomer, prodrug, carboxylic acid isostere, solvate, polymorph, N-oxide, S-oxide or pharmaceutically acceptable salt thereof, which are GPR120 agonists. The present invention also relates to a pharmaceutical composition of a compound of formula (I) for the treatment of metabolic disorders, particularly Type 2 diabetes and associated diseases.

  本发明涉及一种式（I）化合物或其同系物、立体异构体、几何异构体、原药、羧酸异构体、溶液剂、多晶型物、N-氧化物、S-氧化物或药学上可接受的盐，它们是 GPR120 激动剂。本发明还涉及一种式（I）化合物的药物组合物，用于治疗代谢紊乱，特别是 2 型糖尿病及相关疾病。