4-acetylthio-1-butanol | 176753-24-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硫代羧酸及其衍生物
• 英文名称: 4-acetylthio-1-butanol
• 英文别名: 1-[(4-hydroxybutyl)sulfanyl]ethan-1-one；4-acetylthiobutanol；thioacetic acid S-(4-hydroxy-butyl ester)；Thioessigsaeure-S-(4-hydroxy-butylester)；S-(4-hydroxybutyl) ethanethioate
• CAS: 176753-24-5
• 化学式: C₆H₁₂O₂S
• 分子量: 148.226
• InChiKey: WWHRFAKTDQHEJY-UHFFFAOYSA-N

物化性质

• 沸点：
  124 °C(Press: 10 Torr)
• 密度：
  1.088±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  62.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-acetylthio-1-butanol 在 4-二甲氨基吡啶 、 potassium carbonate 、 三乙胺 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  First enzymatic hydrolysis/thio-Michael addition cascade route to synthesis of AChE inhibitors

  摘要：

  据报道，硫醇与丙烯酰胺的不可逆迈克尔加成是动力学靶向合成的一种新工具。在一种前所未有的酶水解/硫代迈克尔加成过程中，乙酰胆碱酯酶抑制剂利用酶的酯化能力和模板能力组装出了强效的选择性乙酰胆碱酯酶抑制剂。

  DOI：

  10.1039/c3cc48871c
• 作为产物：
  描述：

  4-氯丁醇 、 potassium thioacetate 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以72%的产率得到4-acetylthio-1-butanol
  参考文献：
  名称：

  酯酶不稳定磺酸盐保护基团的设计与应用。

  摘要：

  已经设计并合成了三个酯酶不稳定但化学稳定的磺酸盐保护基团。其中一种磺酸酯允许在活细胞中将磺化染料传递到细胞质中并使其暴露。

  DOI：

  10.1039/c0cc04796a

文献信息

• [EN] AMINOPEPTIDASE A INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME<br/>[FR] INHIBITEURS D'AMINOPEPTIDASE A ET COMPOSITIONS PHARMACEUTIQUES LES COMPRENANT
  申请人：QUANTUM GENOMICS

  公开号：WO2020084131A1

  公开（公告）日：2020-04-30

  The present invention relates to a novel compound, to a composition comprising the same, to methods for preparing the compound, and the use of this compound in therapy. In particular, the present invention relates to compound that is useful in the treatment and prevention of primary and secondary arterial hypertension, ictus, myocardial ischaemia, cardiac and renal insufficiency, myocardial infarction, peripheral vascular disease, diabetic proteinuria, Syndrome X and glaucoma.

  本发明涉及一种新型化合物，包括该化合物的组合物，制备该化合物的方法，以及该化合物在治疗中的应用。具体而言，本发明涉及一种在治疗和预防原发性和继发性动脉高血压、中风、心肌缺血、心脏和肾功能不全、心肌梗死、外周血管疾病、糖尿病蛋白尿、X综合征和青光眼中有用的化合物。
• Aminopeptidase A inhibitors and pharmaceutical compositions comprising the same
  申请人：QUANTUM GENOMICS

  公开号：US11192907B2

  公开（公告）日：2021-12-07

  The present invention relates to a novel compound, to a composition comprising the same, to methods for preparing the compound, and the use of this compound in therapy. In particular, the present invention relates to a compound that is useful in the treatment and prevention of primary and secondary arterial hypertension, ictus, myocardial ischaemia, cardiac and renal insufficiency, myocardial infarction, peripheral vascular disease, diabetic proteinuria, Syndrome X and glaucoma.

  本发明涉及一种新型化合物、一种包含该化合物的组合物、制备该化合物的方法以及该化合物在治疗中的应用。特别是，本发明涉及一种可用于治疗和预防原发性和继发性动脉高血压、心肌梗塞、心肌缺血、心肾功能不全、心肌梗塞、外周血管疾病、糖尿病蛋白尿、X综合征和青光眼的化合物。
• Dithiols. Part XIV. The alkaline hydrolysis of acetylated non-vicinal hydroxy-thiols
  作者：J. S. Harding、L. N. Owen

  DOI：10.1039/jr9540001536

  日期：——
• Synthesis and antifungal activity of alkylthio and alkylsulfonyl derivatives of SM-8668
  作者：Hiroshi Miyauchi、Koichi Kozuki、Tomoharu Tanio、Naohito Ohashi

  DOI：10.1016/0968-0896(95)00180-8

  日期：1996.2

  Triazole analogues which contained alkylthio or alkylsulfonyl groups where synthesized as derivatives of antifungal SM-8668 and estimated for their in vitro and in vivo activity. Derivatives having pentylthio, heptylthio or nonylthio groups showed excellent efficacy against both candidiasis and aspergillosis. Introduction of a hydrophilic group at the end of their alkyl chain made their activity stronger. Especially, 5-hydroxypentylthio and 7-hydroxyheptylthio derivatives showed the strongest antifungal activity.
• AMINOPEPTIDASE A INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME
  申请人：QUANTUM GENOMICS

  公开号：US20210309678A1

  公开（公告）日：2021-10-07

  The present invention relates to a novel compound, to a composition comprising the same, to methods for preparing the compound, and the use of this compound in therapy. In particular, the present invention relates to a compound that is useful in the treatment and prevention of primary and secondary arterial hypertension, ictus, myocardial ischaemia, cardiac and renal insufficiency, myocardial infarction, peripheral vascular disease, diabetic proteinuria, Syndrome X and glaucoma.