(R)-4-(3-((S)-1-(4-amino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-5-chloro-2-ethoxy-6-fluorophenyl)pyrrolidin-2-one hydrochloric acid | 1995889-48-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (R)-4-(3-((S)-1-(4-amino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-5-chloro-2-ethoxy-6-fluorophenyl)pyrrolidin-2-one hydrochloric acid
• 英文别名: Parsaclisib Hydrochloride；(4R)-4-[3-[(1S)-1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-chloro-2-ethoxy-6-fluorophenyl]pyrrolidin-2-one;hydrochloride
• CAS: 1995889-48-9
• 化学式: C₂₀H₂₂ClFN₆O₂*ClH
• 分子量: 469.346
• InChiKey: TWHUONANZMKBKX-ACMTZBLWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.54
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  108
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (R)-4-(3-acetyl-5-chloro-2-ethoxy-6-fluorophenyl)pyrrolidin-2-one 在 盐酸 、 bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate 、 氢气 、 对甲苯磺酸 、 N,N-二异丙基乙胺 作用下， 以 N-甲基吡咯烷酮 、 甲醇 、 乙醇 、 水 为溶剂， 20.0~103.0 ℃ 、386.12 kPa 条件下， 反应 62.0h， 生成 (R)-4-(3-((S)-1-(4-amino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-5-chloro-2-ethoxy-6-fluorophenyl)pyrrolidin-2-one hydrochloric acid
  参考文献：
  名称：

  [EN] TOPICAL FORMULATIONS OF PI3K-DELTA INHIBITORS
  [FR] FORMULATIONS TOPIQUES D'INHIBITEURS DE PI3K-DELTA

  摘要：

  The present application relates to pharmaceutical formulations for topical skin application comprising a PI3K-delta inhibitor,e.g., 4-(3-(-1-(4-amino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-5-chloro-2-ethoxy-6-fluorophenyl)pyrrolidin-2-one, or a pharmaceutically acceptable salt thereof, and use in the treatment of skin disorders.

  公开号：

  WO2023114369A2

文献信息

• [EN] SALTS OF PI3K INHIBITOR AND PROCESSES FOR THEIR PREPARATION<br/>[FR] SELS D'UN INHIBITEUR DE PI3K ET PROCÉDÉS DE PRÉPARATION DE CES SELS
  申请人：INCYTE CORP

  公开号：WO2016138363A1

  公开（公告）日：2016-09-01

  The present application provides processes for preparing (R)-4-(3-((S)-1-(4-amino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-5-chloro-2-ethoxy-6-fluorophenyl)pyrrolidin-2-one, which is useful as an inhibitor phosphoinositide 3-kinase-delta (PI3Kδ), as well as a salt form and intermediates related thereto.

  本申请提供了制备(R)-4-(3-((S)-1-(4-氨基-3-甲基-1H-吡唑并[3,4-d]嘧啶-1-基)乙基)-5-氯-2-乙氧基-6-氟苯基)吡咯烷-2-酮的方法，该化合物可用作磷脂酰肌醇3-激酶-δ(PI3Kδ)的抑制剂，以及相关的盐形式和中间体。
• SALTS AND PROCESSES OF PREPARING A PI3K INHIBITOR
  申请人：Incyte Corporation

  公开号：US20160257689A1

  公开（公告）日：2016-09-08

  The present application provides processes for preparing (R)-4-(3-((S)-1-(4-amino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-5-chloro-2-ethoxy-6-fluorophenyl)pyrrolidin-2-one, which is useful as an inhibitor phosphoinositide 3-kinase-delta (PI3Kδ), as well as a salt form and intermediates related thereto.

  本申请提供了制备(R)-4-(3-((S)-1-(4-氨基-3-甲基-1H-吡唑并[3,4-d]嘧啶-1-基)乙基)-5-氯-2-乙氧基-6-氟苯基)吡咯烷-2-酮的工艺，该工艺可用作磷脂酰肌醇3-激酶-δ（PI3Kδ）的抑制剂，以及与之相关的盐形式和中间体。
• PROCESSES FOR THE PREPARATION OF A PI3K INHIBITOR
  申请人：Incyte Corporation

  公开号：EP3831833A1

  公开（公告）日：2021-06-09

  The present application provides processes for preparing (R)-4-(3-((S)-1-(4-amino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-5-chloro-2-ethoxy-6-fluorophenyl)pyrrolidin-2-one, which is useful as an inhibitor phosphoinositide 3-kinase-delta (PI3Kδ), as well as a salt form and intermediates related thereto.

  本申请提供了制备(R)-4-(3-((S)-1-(4-氨基-3-甲基-1H-吡唑并[3,4-d]嘧啶-1-基)乙基)-5-氯-2-乙氧基-6-氟苯基)吡咯烷-2-酮的工艺，该工艺可用作磷酸肌酸 3-激酶-δ（PI3Kδ）抑制剂，还提供了盐形式及其相关中间体。
• Salts and processes of preparing a PI3K inhibitor
  申请人：Incyte Corporation

  公开号：US10336759B2

  公开（公告）日：2019-07-02

  The present application provides processes for preparing (R)-4-(3-((S)-1-(4-amino-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl)-5-chloro-2-ethoxy-6-fluorophenyl)pyrrolidin-2-one, which is useful as an inhibitor phosphoinositide 3-kinase-delta (PI3Kδ), as well as a salt form and intermediates related thereto.

  本申请提供了制备(R)-4-(3-((S)-1-(4-氨基-3-甲基-1H-吡唑并[3,4-d]嘧啶-1-基)乙基)-5-氯-2-乙氧基-6-氟苯基)吡咯烷-2-酮的工艺，该工艺可用作磷酸肌酸 3-激酶-δ（PI3Kδ）抑制剂，还提供了盐形式及其相关中间体。
• SALTS OF PI3K INHIBITOR AND PROCESSES FOR THEIR PREPARATION
  申请人：Incyte Corporation

  公开号：EP3262046A1

  公开（公告）日：2018-01-03