N1-ethyl-3-chloro-1-propanesulfonamide | 216487-29-5

• 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
• 英文名称: N1-ethyl-3-chloro-1-propanesulfonamide
• 英文别名: N-ethyl-3-chloro propylsulfonamide；3-chloro-N-ethylpropane-1-sulfonamide
• CAS: 216487-29-5
• 化学式: C₅H₁₂ClNO₂S
• 分子量: 185.675
• InChiKey: SRFAODYLXWEWBY-UHFFFAOYSA-N

物化性质

• 沸点：
  276.1±42.0 °C(Predicted)
• 密度：
  1.219±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N1-ethyl-3-chloro-1-propanesulfonamide 在 palladium on activated charcoal sodium azide 、 氢气 、 溶剂黄146 、 sodium iodide 作用下， 以 四氢呋喃 、 甲醇 、 水 、 丁酮 为溶剂， 反应 19.5h， 生成 N1-[4-chloro-6-[[3-[(ethylamino)sulfonyl]propyl]amino]-5-nitro-2-pyrimidinyl]acetamide
  参考文献：
  名称：

  2-Alkynyl-8-aryladenines possessing an amide moiety: their synthesis and structure–activity relationships of effects on hepatic glucose production induced via agonism of the A2B adenosine receptor

  摘要：

  A series of 2-alkynyl-8-aryladenine derivatives bearing an amide moiety at the 9-position of adenine was synthesized. These analogues were evaluated for inhibitory activity on N-ethylcarboxamidoadenosine (NECA)-induced glucose production in primary cultured rat hepatocytes. The in-primary benzamide derivative 15f was the most potent compound (IC50 = 0.017 PM), being 15-fold more active than the corresponding 9-methyl derivative (1). Compound 15f showed 72- and 5.2-fold selectivity for human A(2B) receptor versus human A(1) and A(2A) receptors, respectively. Structure-activity relationship (SAR) studies of the synthesized compounds indicated that a three-carbon linker, fixed in the form of a benzene ring, between the adenine core and the amide moiety is important for both A(2B) antagonistic activity and selectivity, The IC50 values in rat hepatocyte glucose assay correlated well with the IC50 values in cAMP assay using Chinese hamster ovary cells stably transfected with human A(2B) receptors (r(2) = 0.94). The A(1) and A(2A) affinities showed no correlation with the potency to inhibit NECA-induced glucose production. These results strongly support our previous conclusion that adenosine agonist-induced hepatic glucose production in rat hepatocytes is mediated through the A(2B) receptor. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00201-2
• 作为产物：
  描述：

  3-氯丙烷磺酰氯 生成 N1-ethyl-3-chloro-1-propanesulfonamide
  参考文献：
  名称：

  J. Med. Chem. 2000, 43, 2040-2048

  摘要：

  DOI：
• 作为试剂：
  描述：

  3-氯丙烷磺酰氯 、 乙胺 、 、 在 ice 、 苯 、 乙醚 、 N1-ethyl-3-chloro-1-propanesulfonamide 、 crystals 作用下， 以 乙醚 为溶剂， 反应 1.25h， 以6.96 g (yield, about 100%) of crude N-ethyl-3-chloro propylsulfonamide (intermediate 3a) was obtained as colorless crystals (m.p.=30°-32° C.)的产率得到N1-ethyl-3-chloro-1-propanesulfonamide
  参考文献：
  名称：

  Benzylidene derivatives

  摘要：

  以下式I所示的苯甲醛衍生物具有抗炎活性：##STR1## 其中A是-CH.sub.2-或-CH.sub.2 CH.sub.2-；B是键或-CH.sub.2-，-CHOH-，-CO-，-O-，或A和B可以共同形成-CH=CH-；D是>N-或>CH-；R.sup.1和R.sup.2各自独立地是氢，低烷基或低烷氧基；R.sup.3是氢，低烷基，环烷基，低烷氧基，芳基烷氧基，杂芳基烷氧基，低烷基羰基，芳基羰基，取代或未取代的氨基甲酰基，或式-(CH.sub.2).sub.n-R.sup.4的基团，其中R.sup.4是氢，羟基，取代或未取代的氨基，芳基，杂芳基，羟基羰基或低烷氧羰基；n是0-3的整数。

  公开号：

  US05418230A1

文献信息

• USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE
  申请人：Duval Stephane

  公开号：US20140147529A1

  公开（公告）日：2014-05-29

  The present invention relates to a method for reducing the production of methane emanating from the digestive activities of a ruminant and/or for improving ruminant animal performance by using, as active compound at least one organic molecule substituted at any position with at least one nitrooxy group, or a salt thereof, which is administrated to the animal together with the feed. The invention also relates to the use of these compounds in feed and feed additives such as premix, concentrates and total mixed ration (TMR) or in the form of a bolus.

  本发明涉及一种通过使用至少一种有机分子，该有机分子在任何位置上至少与一个硝氧基团取代，或其盐，来减少从反刍动物的消化活动中散发的甲烷的生产和/或改善反刍动物的性能的方法，该有机分子与饲料一起被施用于动物。该发明还涉及这些化合物在饲料和饲料添加剂中的使用，如预混合饲料、浓缩饲料和全混合日粮（TMR），或以胶囊的形式。
• Antirheumatic agent
  申请人：——

  公开号：US20030125364A1

  公开（公告）日：2003-07-03

  A novel antirheumatic agent comprising as an active ingredient a compound of formula I: 1 or a pharmaceutically acceptable salt or hydrate thereof.

  一种新型的抗风湿药物，其活性成分为公式I:1的化合物或其药学上可接受的盐或水合物。
• Medicinal compositions retarded in the discoloration of phenolic hydroxyl compounds
  申请人：Shionogi & Co., Ltd.

  公开号：US06632452B1

  公开（公告）日：2003-10-14

  Coloring change of a pharmaceutical composition containing a compound having a phenolic hydroxyl group, such as an anti-inflammatory agent or an antioxidant having a phenolic hydroxyl group or the compound of formula (I) can be controlled by adding an acid. The present invention provides a pharmaceutical composition containing a compound having a phenolic hydroxyl group and an acid in which coloring change is controlled.

  含有酚羟基化合物的药物组成物，例如含有酚羟基的抗炎剂或抗氧化剂，或公式（I）的化合物，其着色变化可以通过添加酸来控制。本发明提供了一种含有酚羟基化合物和酸的药物组成物，其中着色变化得到控制。
• Antirheumatic
  申请人：Shionogi & Co., Ltd.

  公开号：US06525081B1

  公开（公告）日：2003-02-25

  A novel antirheumatic agent comprising as an active ingredient a compound of formula I: or a pharmaceutically acceptable salt or hydrate thereof.

  一种新的抗风湿药物，其活性成分为公式I的化合物，或其药学上可接受的盐或水合物。
• ANTIRHEUMATIC
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1026162A1

  公开（公告）日：2000-08-09

  A novel antirheumatic agent comprising as an active ingredient a compound of formula I: or a pharmaceutically acceptable salt or hydrate thereof.

  一种新型抗风湿制剂，其活性成分包括式 I.化合物或其药学上可接受的盐或水合物： 或其药学上可接受的盐或水合物。