N-isopropyl-1H-pyrrole-3-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: N-isopropyl-1H-pyrrole-3-carboxamide
• 英文别名: N-propan-2-yl-1H-pyrrole-3-carboxamide
• 化学式: C₈H₁₂N₂O
• mdl: MFCD20547599
• 分子量: 152.196
• InChiKey: XTMFQUUEEWMQHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.375
• 拓扑面积：
  44.9
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-isopropyl-1H-pyrrole-3-carboxamide 、 sodium;hydride 、 2-(1,1-dimethylpropyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazole-5-sulfonyl chloride 在 crude product 、 title compound 作用下， 以 四氢呋喃 为溶剂， 以to give 158 mg (64%) of a white solid as the title compound的产率得到1-{[2-(1,1-dimethylpropyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-N-isopropyl-1H-pyrrole-3-carboxamide
  参考文献：
  名称：

  Therapeutic Compounds

  摘要：

  公式I化合物或其药学上可接受的盐：其中R1、R2、R3和R4如规范中所定义，以及包括这些化合物的盐和药物组合物已经制备。它们在治疗中有用，特别是在疼痛管理中。

  公开号：

  US20070244092A1
• 作为产物：
  描述：

  3-吡咯羧酸 、 异丙胺 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 N,N-二甲基甲酰胺 为溶剂， 以52%的产率得到N-isopropyl-1H-pyrrole-3-carboxamide
  参考文献：
  名称：

  Therapeutic Compounds

  摘要：

  式I的化合物或其药用可接受的盐：其中R1、R2、R3和R4如说明书中定义的那样，以及包括这些化合物的盐和药物组合物已经准备好。它们在治疗中很有用，特别是在疼痛管理中。

  公开号：

  US20110086853A1

文献信息

• Therapeutic compounds
  申请人：AstraZeneca AB

  公开号：US07615642B2

  公开（公告）日：2009-11-10

  Compounds of formula I or pharmaceutically acceptable salts thereof: wherein R1, R2, R3 and R4 are as defined in the specification as well as salts and pharmaceutical compositions including the compounds are prepared. They are useful in therapy, in particular in the management of pain.

  公式I的化合物或其药学上可接受的盐：其中R1、R2、R3和R4如规范中所定义，以及制备包括这些化合物的盐和药物组合物。它们在治疗中有用，特别是在缓解疼痛方面。
• BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS
  申请人：AstraZeneca AB

  公开号：EP2010526A1

  公开（公告）日：2009-01-07
• CARBOCYCLIC SULFONE ROR GAMMA MODULATORS
  申请人：BRISTROL-MYERS SQUIBB COMPANY

  公开号：US20160326103A1

  公开（公告）日：2016-11-10

  Described are RORγ modulators of the formula (I), or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein all substituents are defined herein. Also provided are pharmaceutical compositions comprising the same. Such compounds and compositions are useful in methods for modulating RORγ activity in a cell and methods for treating a subject suffering from a disease or disorder in which the subject would therapeutically benefit from modulation of RORγ activity, for example, autoimmune and/or inflammatory disorders.
• MACROLIDES WITH MODIFIED DESOSAMINE SUGARS AND USES THEREOF
  申请人：President and Fellows of Harvard College

  公开号：US20180066008A1

  公开（公告）日：2018-03-08

  Provided herein are macrolide compounds of Formula (I) and (I-N) for the treatment of infectious diseases and inflammatory conditions. The 14-membered ketolides and 14-, 15-, and 16-membered azaketolides described herein comprise modified sugars which are desosamine or mycaminose analogs. Pharmaceutical compositions and methods of treating infection diseases and inflammatory conditions using the inventive macrolides are also provided. This disclosure additionally provides methods of preparing the macrolides by the coupling of an eastern and western half.
• SYNTHESIS OF DESOSAMINES
  申请人：President and Fellows of Harvard College

  公开号：US20180111956A1

  公开（公告）日：2018-04-26

  The present invention provides desosamine and mycaminose analogs and nitro sugars and methods for their preparation. The invention also provides methods of cyclizing a compound of Formula (A′) with glyoxal to give a nitro sugar of Formula (B). Methods for the preparation of compound of Formula (D′) are provided comprising cyclization of a nitro alcohol to give a nitro sugar and reduction and alkylation of the nitro sugar to give a desosamine, mycaminose, or an analog thereof.