NVS-PI3-4 | 941580-60-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: NVS-PI3-4
• 英文别名: 3-{3-[5-(4-Acetyl-phenyl)-4-methyl-thiazol-2-yl]-ureido}-N-tert-butyl-propionamide；3-[[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N-tert-butylpropanamide
• CAS: 941580-60-5
• 化学式: C₂₀H₂₆N₄O₃S
• 分子量: 402.517
• InChiKey: IUPXLLWDLOWEBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  128
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-[4-(2-Amino-4-methyl-thiazol-5-yl)-phenyl]-ethanone 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 NVS-PI3-4
  参考文献：
  名称：

  Development of isoform selective PI3-kinase inhibitors as pharmacological tools for elucidating the PI3K pathway

  摘要：

  Using a parallel synthesis approach to target a non-conserved region of the PI3K catalytic domain a pan-PI3K inhibitor 1 was elaborated to provide alpha, delta and gamma isoform selective Class I PI3K inhibitors 21, 24, 26 and 27. The compounds had good cellular activity and were selective against protein kinases and other members of the PI3K superfamily including mTOR and DNA-PK. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.07.042

文献信息

• Organic Compounds
  申请人：Budd Emma

  公开号：US20080319033A1

  公开（公告）日：2008-12-25

  Compounds of formula I in free or salt form, wherein R 1 , R 2 , R 3 , R 4 and X have the meanings as indicated in the specification, are useful for treating diseases mediated by phosphatidylinositol 3-kinase. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.

  式I中R1、R2、R3、R4和X的自由或盐形式化合物，其含义如规范所示，可用于治疗由磷脂酰肌醇3-激酶介导的疾病。还描述了含有这些化合物的药物组合物以及制备这些化合物的方法。
• Organic compounds
  申请人：Novartis AG

  公开号：US07754746B2

  公开（公告）日：2010-07-13

  Compounds of formula I in free or salt form, wherein R1, R2, R3, R4 and X have the meanings as indicated in the specification, are useful for treating diseases mediated by phosphatidylinositol 3-kinase. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.

  式I的化合物，无论是自由形式还是盐形式，其中R1，R2，R3，R4和X的含义如规范中所示，对于治疗由磷脂酰肌醇3-激酶介导的疾病是有用的。还描述了包含这些化合物的制药组合物以及制备这些化合物的过程。
• Thiazol-2-yl organic compounds
  申请人：Novartis AG

  公开号：EP2357179A1

  公开（公告）日：2011-08-17

  Compounds of formula (I) in free or salt form, wherein R1, R2, R3, R4 and X have the meanings as indicated in the specification, are useful for treating diseases mediated by phosphatidylinositol 3-kinase. Pharmaceutical compositions that contain the compounds and processes for preparing the compounds are also described.

  其中 R1、R2、R3、R4 和 X 的含义如说明书所示，游离或盐形式的式 (I) 化合物可用于治疗由磷脂酰肌醇 3- 激酶介导的疾病。还描述了含有这些化合物的药物组合物和制备这些化合物的工艺。
• ORGANIC COMPOUNDS
  申请人：Novartis AG

  公开号：EP1966175A2

  公开（公告）日：2008-09-10
• US7754746B2
  申请人：——

  公开号：US7754746B2

  公开（公告）日：2010-07-13