1-(pentane-1-sulfonyl)-propan-2-one | 92334-75-3

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 英文名称: 1-(pentane-1-sulfonyl)-propan-2-one
• 英文别名: 1-Pentylsulfonylpropan-2-one；1-pentylsulfonylpropan-2-one
• CAS: 92334-75-3
• 化学式: C₈H₁₆O₃S
• 分子量: 192.279
• InChiKey: AWYJGIDVLCLTGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(pentane-1-sulfonyl)-propan-2-one 在 溴 作用下， 以 溶剂黄146 为溶剂， 生成 1-bromo-3-(pentane-1-sulfonyl)-propan-2-one
  参考文献：
  名称：

  4-Thiazoline-2-thiones. II. Preparation of 4-Alkylsulfonylmethyl Derivatives

  摘要：

  DOI：

  10.1021/jo01031a009
• 作为产物：
  描述：

  正戊基溴化镁 、 一氯丙酮 生成 1-(pentane-1-sulfonyl)-propan-2-one
  参考文献：
  名称：

  4-Thiazoline-2-thiones. II. Preparation of 4-Alkylsulfonylmethyl Derivatives

  摘要：

  DOI：

  10.1021/jo01031a009

文献信息

• [EN] 1,4,5-SUBSTITUTED 1,2,3-TRIAZOLE ANALOGUES AS ANTAGONISTS OF THE PREGNANE X RECEPTOR<br/>[FR] COMPOSÉS ANALOGUES AU 1,2,3-TRIAZOLE SUBSTITUÉ AUX POSITIONS 1, 4, 5 EN TANT QU'ANTAGONISTES DU RÉCEPTEUR X DU PRÉGNANE
  申请人：ST JUDE CHILDREN'S RES HOSPITAL

  公开号：WO2017165139A1

  公开（公告）日：2017-09-28

  In an aspect, the invention relates to 1,4,5 -substituted 1,2,3-triazole and 1,2,4,5- substituted imidazoles, which are modulators the pregnane X receptor ("PXR"); synthesis methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of modulating an adverse drug reaction in a mammal using the compounds and pharmaceutical compositions; methods of treatment of a disorder of uncontrolled cellular proliferation, such as a cancer, using the compounds and pharmaceutical compositions; methods of modulating pregnane X receptor activity in a mammal using the compounds and pharmaceutical compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  在某个方面，该发明涉及1,4,5-取代的1,2,3-三唑和1,2,4,5-取代的咪唑，它们是孕烷X受体（"PXR"）的调节剂；制备这些化合物的合成方法；包括这些化合物的药物组合物；以及使用这些化合物和药物组合物调节哺乳动物中不良药物反应的方法；使用这些化合物和药物组合物治疗细胞不受控制增殖的疾病，如癌症的方法；使用这些化合物和药物组合物调节哺乳动物中孕烷X受体活性的方法。本摘要旨在作为在特定领域进行搜索的扫描工具，并不打算限制本发明。
• 1,4,5-substituted 1,2,3-triazole analogues as antagonists of the pregnane X receptor
  申请人：ST. JUDE CHILDREN'S RESEARCH HOSPITAL

  公开号：US10550091B2

  公开（公告）日：2020-02-04

  In an aspect, the invention relates to 1,4,5-substituted 1,2,3-triazole and 1,2,4,5-substituted imidazoles, which are modulators the pregnane X receptor (“PXR”); synthesis methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of modulating an adverse drug reaction in a mammal using the compounds and pharmaceutical compositions; methods of treatment of a disorder of uncontrolled cellular proliferation, such as a cancer, using the compounds and pharmaceutical compositions; methods of modulating pregnane X receptor activity in a mammal using the compounds and pharmaceutical compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  在一个方面，本发明涉及1,4,5-取代的1,2,3-三唑和1,2,4,5-取代的咪唑，它们是孕烷X受体（"PXR"）的调节剂；制造这些化合物的合成方法；包含这些化合物的药物组合物；以及使用这些化合物和药物组合物调节哺乳动物药物不良反应的方法；使用这些化合物和药物组合物治疗细胞增殖失控疾病（如癌症）的方法；使用这些化合物和药物组合物调节哺乳动物体内孕烷 X 受体活性的方法。本摘要旨在作为一种扫描工具，用于特定技术领域的检索，并非对本发明的限制。
• 1,4,5-SUBSTITUTED 1,2,3-TRIAZOLE ANALOGUES AS ANTAGONISTS OF THE PREGNANE X RECEPTOR
  申请人：ST. JUDE CHILDREN'S RESEARCH HOSPITAL

  公开号：US20190077770A1

  公开（公告）日：2019-03-14

  In an aspect, the invention relates to 1,4,5-substituted 1,2,3-triazole and 1,2,4,5-substituted imidazoles, which are modulators the pregnane X receptor (“PXR”); synthesis methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of modulating an adverse drug reaction in a mammal using the compounds and pharmaceutical compositions; methods of treatment of a disorder of uncontrolled cellular proliferation, such as a cancer, using the compounds and pharmaceutical compositions; methods of modulating pregnane X receptor activity in a mammal using the compounds and pharmaceutical compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.
• 4-Thiazoline-2-thiones. II. Preparation of 4-Alkylsulfonylmethyl Derivatives
  作者：W. J. Humphlett、R. W. Lamon

  DOI：10.1021/jo01031a009

  日期：1964.8