N-(4-Chloro-3-(4,5-dihydro-5-oxo-3-(4-((pyrrolidin-1-yl)methyl)phenyl)-1,2,4-triazol-1-yl)benzyl)pivalamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(4-Chloro-3-(4,5-dihydro-5-oxo-3-(4-((pyrrolidin-1-yl)methyl)phenyl)-1,2,4-triazol-1-yl)benzyl)pivalamide
• 英文别名: N-[[4-chloro-3-[5-oxo-3-[4-(pyrrolidin-1-ylmethyl)phenyl]-4H-1,2,4-triazol-1-yl]phenyl]methyl]-2,2-dimethylpropanamide
• 化学式: C₂₅H₃₀ClN₅O₂
• 分子量: 468.0
• InChiKey: SKUSOFNFCTXDBF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  77
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  四氢吡咯 、 sodium;hydride 、 N-(3-(3-(4-(bromomethyl)phenyl)-4,5-dihydro-5-oxo-1,2,4-triazol-1-yl)-4-chlorobenzyl)pivalamide 在 ice 、 二氯甲烷 、 Sodium sulfate-III 、 crude product 、 alumina 、 甲醇 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以DCM to afford 0.020 g of the desired product的产率得到N-(4-Chloro-3-(4,5-dihydro-5-oxo-3-(4-((pyrrolidin-1-yl)methyl)phenyl)-1,2,4-triazol-1-yl)benzyl)pivalamide
  参考文献：
  名称：

  Triazolone compounds as mPGES-1 inhibitors

  摘要：

  本公开涉及式(I)化合物及其药学上可接受的盐，作为mPGES-1抑制剂。这些化合物是微粒体前列腺素E合成酶-1（mPGES-1）酶的抑制剂，因此可用于治疗多种疾病或病况引起的疼痛和/或炎症，如哮喘、骨关节炎、类风湿性关节炎、急性或慢性疼痛和神经退行性疾病。

  公开号：

  US09439890B2

文献信息

• [EN] TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS<br/>[FR] COMPOSÉS TRIAZOLONE UTILISÉS COMME INHIBITEURS DE LA MPGES-1
  申请人：GLENMARK PHARMACEUTICALS SA

  公开号：WO2013186692A1

  公开（公告）日：2013-12-19

  The present disclosure is directed to compounds of formula (I), and pharmaceutically acceptable salts thereof, as mPGES-1 inhibitors. These compounds are inhibitors of the microsomal prostaglandin E synthase-1 (mPGES-1) enzyme and are therefore useful in the treatment of pain and/or inflammation from a variety of diseases or conditions, such as asthma, osteoarthritis, rheumatoid arthritis, acute or chronic pain and neurodegenerative diseases.

  本公开涉及式(I)的化合物及其药用盐，作为mPGES-1抑制剂。这些化合物是微粒体前列腺素E合成酶-1（mPGES-1）酶的抑制剂，因此在治疗来自各种疾病或病况的疼痛和/或炎症方面具有用处，如哮喘、骨关节炎、类风湿关节炎、急性或慢性疼痛和神经退行性疾病。
• TRIAZOLONE COMPOUNDS AS mPGES-1 INHIBITORS
  申请人：Glenmark Pharmaceuticals S.A.

  公开号：US20150087646A1

  公开（公告）日：2015-03-26

  The present disclosure is directed to compounds of formula (I), and pharmaceutically acceptable salts thereof, as mPGES-1 inhibitors. These compounds are inhibitors of the microsomal prostaglandin E synthase-1 (mPGES-1) enzyme and are therefore useful in the treatment of pain and/or inflammation from a variety of diseases or conditions, such as asthma, osteoarthritis, rheumatoid arthritis, acute or chronic pain and neurodegenerative diseases.

  本公开涉及式(I)的化合物及其药学上可接受的盐，作为mPGES-1抑制剂。这些化合物是微粒体前列腺素E合成酶-1 (mPGES-1)酶的抑制剂，因此可用于治疗各种疾病或病况引起的疼痛和/或炎症，如哮喘、骨关节炎、类风湿性关节炎、急性或慢性疼痛和神经退行性疾病。
• Triazolone compounds as MPGES-1 inhibitors
  申请人：Glenmark Pharmaceuticals S.A.

  公开号：US10391083B2

  公开（公告）日：2019-08-27

  The present disclosure is directed to compounds of formula (I), and pharmaceutically acceptable salts thereof, as mPGES-1 inhibitors. These compounds are inhibitors of the microsomal prostaglandin E synthase-1 (mPGES-1) enzyme and are therefore useful in the treatment of pain and/or inflammation from a variety of diseases or conditions, such as asthma, osteoarthritis, rheumatoid arthritis, acute or chronic pain and neurodegenerative diseases.

  本公开涉及作为 mPGES-1 抑制剂的式 (I) 化合物及其药学上可接受的盐。这些化合物是微粒体前列腺素 E 合酶-1（mPGES-1）酶的抑制剂，因此可用于治疗多种疾病或病症引起的疼痛和/或炎症，如哮喘、骨关节炎、类风湿性关节炎、急性或慢性疼痛和神经退行性疾病。
• TRIAZOLONE COMPOUNDS AS MPGES-1 INHIBITORS
  申请人：Glenmark Pharmaceuticals S.A.

  公开号：US20180200229A1

  公开（公告）日：2018-07-19

  The present disclosure is directed to compounds of formula (I), and pharmaceutically acceptable salts thereof, as mPGES-1 inhibitors. These compounds are inhibitors of the microsomal prostaglandin E synthase-1 (mPGES-1) enzyme and are therefore useful in the treatment of pain and/or inflammation from a variety of diseases or conditions, such as asthma, osteoarthritis, rheumatoid arthritis, acute or chronic pain and neurodegenerative diseases.
• US9096545B2
  申请人：——

  公开号：US9096545B2

  公开（公告）日：2015-08-04