ethyl (R)-4-((1-(2-cyanoacetyl)piperidin-3-yl)amino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate | 2321488-47-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: ethyl (R)-4-((1-(2-cyanoacetyl)piperidin-3-yl)amino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
• 英文别名: Lepzacitinib；ethyl 4-[[(3R)-1-(2-cyanoacetyl)piperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
• CAS: 2321488-47-3
• 化学式: C₁₈H₂₁N₅O₃
• 分子量: 355.396
• InChiKey: QQOPOYMFJLUSBI-GFCCVEGCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  111
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-氯-1-(三异丙基甲硅烷基)-1H-吡咯并[2,3-B]吡啶-5-甲酸乙酯 在 盐酸 、 碳酸氢钠 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 生成 ethyl (R)-4-((1-(2-cyanoacetyl)piperidin-3-yl)amino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
  参考文献：
  名称：

  [EN] CRYSTALLINE POLYMORPH FORM A OF A JAK INHIBITOR AND METHODS FOR ITS PREPARATION
  [FR] FORME POLYMORPHE CRISTALLINE A D'UN INHIBITEUR DE JAK ET SES PROCÉDÉS DE PRÉPARATION

  摘要：

  The present application relates to a novel crystalline form of ethyl (R)-4-((1-(2-cyanoacetyl)piperidin-3-yl)amino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (Compound 1). The present application also relates to a method of preparing Compound 1 and a method of preparing crystalline polymorph Form A of Compound 1. Additional aspects of the present application relate to pharmaceutical compositions comprising Compound 1 formed from the crystalline form or the crystalline form of Compound 1.

  公开号：

  WO2022067106A1

文献信息

• Substituted pyrrolopyridine JAK inhibitors and methods of making and using the same
  申请人：ACLARIS THERAPEUTICS, INC.

  公开号：US10981906B2

  公开（公告）日：2021-04-20

  The present invention relates to new pyrrolopyridine compounds and compositions and their application as pharmaceuticals for the treatment of disease. Methods of inhibition of JAK1 and JAK3 kinase activity in a human or animal subject are also provided for the treatment diseases such as pruritus, alopecia, androgenetic alopecia, alopecia areata, vitiligo and psoriasis.

  本发明涉及新的吡咯并吡啶化合物和组合物及其作为药物治疗疾病的应用。本发明还提供了抑制人或动物体内 JAK1 和 JAK3 激酶活性的方法，用于治疗瘙痒症、脱发、雄激素性脱发、斑秃、白癜风和银屑病等疾病。
• SUBSTITUTED PYRROLOPYRIDINE JAK INHIBITORS AND METHODS OF MAKING AND USING THE SAME
  申请人：ACLARIS THERAPEUTICS, INC.

  公开号：US20190135808A1

  公开（公告）日：2019-05-09

  The present invention relates to new pyrrolopyridine compounds and compositions and their application as pharmaceuticals for the treatment of disease. Methods of inhibition of JAK1 and JAK3 kinase activity in a human or animal subject are also provided for the treatment diseases such as pruritus, alopecia, androgenetic alopecia, alopecia areata, vitiligo and psoriasis.