1-(4-isopropylphenyl)methanesulfonamide | 64732-36-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1-(4-isopropylphenyl)methanesulfonamide
• 英文别名: (4-propan-2-ylphenyl)methanesulfonamide
• CAS: 64732-36-1
• 化学式: C₁₀H₁₅NO₂S
• mdl: MFCD11212978
• 分子量: 213.301
• InChiKey: QUHGEDDAENKRCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  68.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-isopropylphenyl)methanesulfonamide 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 二氯甲烷 为溶剂， 反应 18.08h， 以56%的产率得到ethyl 6-[4-({[(4-isopropylbenzyl)sulfonyl]amino}carbonyl)piperidin-1-yl]-5-cyano-2-methylnicotinate
  参考文献：
  名称：

  WO2007/8140

  摘要：

  公开号：
• 作为产物：
  描述：

  (4-Propan-2-ylphenyl)methanesulfonyl chloride 在 氨 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 1-(4-isopropylphenyl)methanesulfonamide
  参考文献：
  名称：

  WO2007/8140

  摘要：

  公开号：

文献信息

• New Pyridine Analogues VIII 518
  申请人：Antonsson Thomas

  公开号：US20080200448A1

  公开（公告）日：2008-08-21

  The present invention relates to certain new pyridin analogues of Formula (I) to processes for preparing such compounds, to their utility as P2Y 12 inhibitors and as anti-trombotic agents etc, their use as medicaments in cardiovascular diseases as well as pharmaceutical compositions containing them.

  本发明涉及某些新的Formula(I)吡啶类似物、制备这些化合物的方法、它们作为P2Y12抑制剂和抗血栓药物等的用途、它们作为心血管疾病药物的使用，以及包含它们的制药组合物。
• Pyridine Analogues
  申请人：Andersen Soren

  公开号：US20080312208A1

  公开（公告）日：2008-12-18

  The present invention relates to certain new pyridin analogues of Formula (I) Chemical formula should be inserted here. Please see paper copy Formula (I) to processes for preparing such compounds, to their utility as P2Y 12 inhibitors and as anti-thrombotic agents etc, their use as medicaments in cardiovascular diseases as well as pharmaceutical compositions containing them.

  本发明涉及某些新的Formula (I)式吡啶类似物，化学式应在此处插入。请参见纸质副本Formula (I)，以及制备这些化合物的过程，它们作为P2Y12抑制剂和抗血栓剂等的效用，它们在心血管疾病中作为药物的用途以及含有它们的制药组合物。
• Pyridyl reverse sulfonamides for HBV treatment
  申请人：Novira Therapeutics, Inc.

  公开号：US10160742B2

  公开（公告）日：2018-12-25

  The present invention includes a method of inhibiting, suppressing or preventing HBV infection in an individual in need thereof, comprising administering to the individual a therapeutically effective amount of at least one compound of the invention.

  本发明包括一种在有需要的个体中抑制、抑制或预防 HBV 感染的方法，包括向该个体施用治疗有效量的至少一种本发明化合物。
• Lead Optimization of Ethyl 6-Aminonicotinate Acyl Sulfonamides as Antagonists of the P2Y₁₂ Receptor. Separation of the Antithrombotic Effect and Bleeding for Candidate Drug AZD1283
  作者：Peter Bach、Thomas Antonsson、Ruth Bylund、Jan-Arne Björkman、Krister Österlund、Fabrizio Giordanetto、J. J. J. van Giezen、Søren M. Andersen、Helen Zachrisson、Fredrik Zetterberg

  DOI：10.1021/jm400820m

  日期：2013.9.12

  Synthesis and structure-activity relationships of ethyl 6-aminonicotinate acyl sulfonamides, which are potent antagonists of the P2Y(12) receptor, are presented. Shifting from 5-chlorothienyl to benzyl sulfonamides significantly increased the potency in the residual platelet count assay. Evaluation of PK parameters in vivo in dog for six compounds showed a 10-fold higher clearance for the azetidines than for the matched-pair piperidines. In a modified Folts model in dog, both piperidine 3 and azetidine 13 dose-dependently induced increases in blood flow and inhibition of ADP-induced platelet aggregation with antithrombotic ED50 values of 3.0 and 10 mu g/kg/min, respectively. The doses that induced a larger than 3-fold increase in bleeding time were 33 and 100 mu g/kg/min for 3 and 13, respectively. Thus, the therapeutic index (TI) was >= 10 for both compounds. On the basis of these data, compound 3 was progressed into human clinical trials as candidate drug AZD1283.
• NEW PYRIDINE ANALOGUES
  申请人：AstraZeneca AB

  公开号：EP1904474A1

  公开（公告）日：2008-04-02