2-methyl-1-(4-(4-(1-(pentan-3-yl)-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl)-1H-pyrazol-1-yl)propan-2-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-methyl-1-(4-(4-(1-(pentan-3-yl)-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl)-1H-pyrazol-1-yl)propan-2-ol
• 英文别名: US10189845, Example 117；2-methyl-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol
• 化学式: C₂₁H₂₇N₇O
• 分子量: 393.492
• InChiKey: KQHQNBIOGBNAOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  86.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-(1-(4-methoxybenzyl)-1H-pyrazol-4-yl)-4-(1-(pentan-3-yl)-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazine 在 caesium carbonate 、 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 2-methyl-1-(4-(4-(1-(pentan-3-yl)-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl)-1H-pyrazol-1-yl)propan-2-ol
  参考文献：
  名称：

  [EN] 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS
  [FR] PYRAZOLO[1,5-A] PYRAZINES SUBSTITUÉES EN 4,6 EN TANT QU'INHIBITEURS DE LA JANUS KINASE

  摘要：

  公式I的化合物及其立体异构体和药学上可接受的盐和溶剂化合物，在其中R1、R2、R3和R4具有规范中给定的含义，是一种或多种JAK激酶的抑制剂，并且在治疗JAK激酶相关疾病和疾病方面非常有用，如自身免疫疾病、炎症性疾病、移植器官、组织和细胞的排斥反应，以及血液学疾病和恶性肿瘤及其并发症。

  公开号：

  WO2016090285A1

文献信息

• PHARMACEUTICAL COMPOSITION COMPRISING A JAK-INHIBITING 4,6-SUBSTITUTED-PYRAZOLO[1,5-A]PYRAZINE COMPOUND
  申请人：Array Biopharma Inc.

  公开号：EP3878451A1

  公开（公告）日：2021-09-15

  Compounds of Formula I: and stereoisomers and pharmaceutically acceptable salts and solvates thereof in which R1, R2, R3 and R4 have the meanings given in the specification, are inhibitors of one or more JAK kinases and are useful in the treatment of JAK kinase-associated diseases and disorders, such as autoimmune diseases, inflammatory diseases, rejection of transplanted organs, tissues and cells, as well as hematologic disorders and malignancies and their co-morbidities.

  式 I 的化合物： 及其立体异构体和药学上可接受的盐及溶液，其中 R1、R2、R3 和 R4 具有说明书中给出的含义，是一种或多种 JAK 激酶的抑制剂，可用于治疗与 JAK 激酶相关的疾病和紊乱，如自身免疫性疾病、炎症性疾病、移植器官、组织和细胞的排斥反应，以及血液病和恶性肿瘤及其并发症。
• 4,6-substituted-pyrazolo[1,5-a]pyrazines as janus kinase inhibitors
  申请人：ARRAY BIOPHARMA INC.

  公开号：US10189845B2

  公开（公告）日：2019-01-29

  Compounds of Formula I: and stereoisomers and pharmaceutically acceptable salts and solvates thereof in which R1, R2, R3 and R4 have the meanings given in the specification, are inhibitors of one or more JAK kinases and are useful in the treatment of JAK kinase-associated diseases and disorders, such as autoimmune diseases, inflammatory diseases, rejection of transplanted organs, tissues and cells, as well as hematologic disorders and malignancies and their co-morbidities.

  式 I 的化合物：及其立体异构体和药学上可接受的盐和溶液，其中 R1、R2、R3 和 R4 具有说明书中给出的含义，是一种或多种 JAK 激酶的抑制剂，可用于治疗 JAK 激酶相关的疾病和紊乱，如自身免疫性疾病、炎症性疾病、移植器官、组织和细胞的排斥反应，以及血液病和恶性肿瘤及其并发症。
• 4,6-substituted-pyrazolo[1,5-a]pyrazines as Janus kinase inhibitors
  申请人：Array BioPharma Inc.

  公开号：US10730880B2

  公开（公告）日：2020-08-04

  Compounds of Formula I: and stereoisomers and pharmaceutically acceptable salts and solvates thereof in which R1, R2, R3 and R4 have the meanings given in the specification, are inhibitors of one or more JAK kinases and are useful in the treatment of JAK kinase-associated diseases and disorders, such as autoimmune diseases, inflammatory diseases, rejection of transplanted organs, tissues and cells, as well as hematologic disorders and malignancies and their co-morbidities.

  式 I 的化合物： 及其立体异构体和药学上可接受的盐及溶液，其中 R1、R2、R3 和 R4 具有说明书中给出的含义，是一种或多种 JAK 激酶的抑制剂，可用于治疗与 JAK 激酶相关的疾病和紊乱，如自身免疫性疾病、炎症性疾病、移植器官、组织和细胞的排斥反应，以及血液病和恶性肿瘤及其并发症。
• 4,6-SUBSTITUTED-PYRAZOLO[1,5-A]PYRAZINES AS JANUS KINASE INHIBITORS
  申请人：Array Biopharma, Inc.

  公开号：EP3227297B1

  公开（公告）日：2021-01-20
• 4,6-SUBSTITUTED-PYRAZOLO[1,5-a]PYRAZINES AS JANUS KINASE INHIBITORS
  申请人：ARRAY BIOPHARMA INC.

  公开号：US20170362240A1

  公开（公告）日：2017-12-21

  Compounds of Formula I: and stereoisomers and pharmaceutically acceptable salts and solvates thereof in which R 1 , R 2 , R 3 and R 4 have the meanings given in the specification, are inhibitors of one or more JAK kinases and are useful in the treatment of JAK kinase-associated diseases and disorders, such as autoimmune diseases, inflammatory diseases, rejection of transplanted organs, tissues and cells, as well as hematologic disorders and malignancies and their co-morbidities.