2-(羟基甲基)噻吩-3-磺酰胺 | 107142-08-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 中文名称: 2-(羟基甲基)噻吩-3-磺酰胺
• 英文名称: 2-hydroxymethylthiophene-3-sulfonamide
• 英文别名: 2-(hydroxymethyl)thiophen-3-sulfonamide；2-(Hydroxymethyl)thiophene-3-sulfonamide
• CAS: 107142-08-5
• 化学式: C₅H₇NO₃S₂
• mdl: MFCD08695562
• 分子量: 193.247
• InChiKey: OODNYCRFXITGQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 海关编码：
  2935009090

反应信息

• 作为反应物：
  描述：

  2-(羟基甲基)噻吩-3-磺酰胺 在 吡啶 、 咪唑 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 四丁基氟化铵 、 三溴化磷 、 sodium hydride 、 三乙胺 、 三苯基膦 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 氯仿 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Design, synthesis and SAR investigation of thienosultam derivatives as ADAMTS-5 (aggrecanase-2) inhibitors

  摘要：

  A series of 1,1-dioxothieno[2,3-d]isothiazole (thienosultam) derivatives were designed and synthesized as novel ADAMTS-5 inhibitors for an investigation into a side chain of thienosultam for the S1' pocket. The resulting compounds (19 and 24) show high ADAMTS-5 inhibition and other MMP selectivity, and these compounds show good oral bioavailability. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.120
• 作为产物：
  描述：

  3-氯磺酰基-2-噻吩甲酸甲酯 在 ammonium hydroxide 、 二异丁基氢化铝 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 生成 2-(羟基甲基)噻吩-3-磺酰胺
  参考文献：
  名称：

  Design, synthesis and SAR investigation of thienosultam derivatives as ADAMTS-5 (aggrecanase-2) inhibitors

  摘要：

  A series of 1,1-dioxothieno[2,3-d]isothiazole (thienosultam) derivatives were designed and synthesized as novel ADAMTS-5 inhibitors for an investigation into a side chain of thienosultam for the S1' pocket. The resulting compounds (19 and 24) show high ADAMTS-5 inhibition and other MMP selectivity, and these compounds show good oral bioavailability. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.01.120

文献信息

• Thiophenesulfonamide herbicides
  申请人：E. I. Du Pont de Nemours and Company

  公开号：US04743290A1

  公开（公告）日：1988-05-10

  Thiophenesulfonamides of the formula ##STR1## are useful as herbicides.

  化学式为##STR1##的噻吩磺酰胺可用作除草剂。
• SULTAM DERIVATIVES
  申请人：MAEKAWARA Naomi

  公开号：US20090192154A1

  公开（公告）日：2009-07-30

  A sultam derivative of Formula (1) described below having inhibitory action for aggrecanase activity is provided. The sultam derivative of Formula (1) and a salt thereof exhibit strong inhibitory action for aggrecanase activity in a living body of a mammalian animal including human, and is useful, for example, as an active ingredient of a pharmaceutical agent for preventing and/or treating various diseases caused by degradation of aggrecan.

  提供一种以下式（1）描述的磺酰胺衍生物，具有对聚集素酶活性的抑制作用。该式（1）的磺酰胺衍生物及其盐在哺乳动物包括人类的活体内表现出对聚集素酶活性的强抑制作用，并且可用作制药剂的活性成分，用于预防和/或治疗由聚集素降解引起的各种疾病。
• CHRISTENSEN, JOEL R.;CUOMO, JOHN;LEVITT, GEORGE
  作者：CHRISTENSEN, JOEL R.、CUOMO, JOHN、LEVITT, GEORGE

  DOI：——

  日期：——
• Design, synthesis and SAR investigation of thienosultam derivatives as ADAMTS-5 (aggrecanase-2) inhibitors
  作者：Masakazu Atobe、Naomi Maekawara、Masashi Kawanishi、Hiroko Suzuki、Eiichi Tanaka、Shiro Miyoshi

  DOI：10.1016/j.bmcl.2013.01.120

  日期：2013.4

  A series of 1,1-dioxothieno[2,3-d]isothiazole (thienosultam) derivatives were designed and synthesized as novel ADAMTS-5 inhibitors for an investigation into a side chain of thienosultam for the S1' pocket. The resulting compounds (19 and 24) show high ADAMTS-5 inhibition and other MMP selectivity, and these compounds show good oral bioavailability. (C) 2013 Elsevier Ltd. All rights reserved.