SPI-112 | 1051387-90-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: SPI-112
• 英文别名: (Z)-3-(2-(5-(N-(4-fluorobenzyl)sulfamoyl)-2-oxindolin-3-ylidene)hydrazinyl)benzoic acid；3-[2-[5-[(4-fluorophenyl)methylsulfamoyl]-2-oxoindol-3-yl]hydrazinyl]benzoic acid
• CAS: 1051387-90-6
• 化学式: C₂₂H₁₇FN₄O₅S
• 分子量: 468.465
• InChiKey: ABVSYWGFUNXYAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.77
• 重原子数：
  33.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  136.96
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2,3-Dioxo-2,3-dihydro-1H-indole-5-sulfonic acid 4-fluorobenzylamide 、 3-肼基苯甲酸 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 0.25h， 以40%的产率得到SPI-112
  参考文献：
  名称：

  Inhibitors of Src Homology-2 Domain Containing Protein Tyrosine Phosphatase-2 (Shp2) Based on Oxindole Scaffolds

  摘要：

  Screening of the NCl diversity set of compounds has led to the identification of 5 (NSC-117199), which inhibits the protein tyrosine phosphatase (PTP) Shp2 with an IC(50) of 47 mu M. A focused library incorporating an isatin scaffold was designed and evaluated for inhibition of Shp2 and Shp1 PTP activities. Several compounds were identified that selectively inhibit Shp2 over ShpI and PTP1B with low to submicromolar activity. A model for the binding of the active compounds is proposed.

  DOI：

  10.1021/jm8002526

文献信息

• Compositions and methods used in diagnosing and treating colorectal cancer
  申请人：Oregon Health & Science University

  公开号：US10988766B2

  公开（公告）日：2021-04-27

  Disclosed are methods of treating colorectal cancer that involve administering a composition comprising an effective amount of miR-451a to cells in the colorectal cancer and further treating the colorectal cancer cells with ionizing radiation. Also disclosed are methods of predicting whether a colorectal cancer in a subject will respond to ionizing radiation. These methods involve measuring the RNA expression of miR-451a, miR-1322, miR-133-3p, miR-1, miR-205-5p, miR-4521, CAB39, EMSY, or MEX3C in the sample and measuring the RNA expression of the same marker in a control.

  公开了治疗结直肠癌的方法，包括向结直肠癌细胞施用包含有效量 miR-451a 的组合物，并进一步用电离辐射治疗结直肠癌细胞。还公开了预测受试者的结直肠癌是否会对电离辐射产生反应的方法。这些方法包括测量样本中 miR-451a、miR-1322、miR-133-3p、miR-1、miR-205-5p、miR-4521、CAB39、EMSY 或 MEX3C 的 RNA 表达，以及测量对照中相同标记物的 RNA 表达。
• INDOLINE SCAFFOLD SHP-2 INHIBITORS AND METHOD OF TREATING CANCER
  申请人：Wu Jie

  公开号：US20120034186A1

  公开（公告）日：2012-02-09

  Protein tyrosine phosphatase (PTP) Shp2 is a non-receptor PTP that involved in cell signaling and regulation of cell proliferation, differentiation, and migration. Shp2 mediates activation of kinases that are involved in the pathogenesis of human carcinoma. A high throughput screen identified compounds that inhibit the PTP Shp2. Several compounds were identified that selectively inhibit Shp2 over Shp1 with low to sub-micromolar activity. Also disclosed are methods of inhibiting a protein tyrosine phosphatase in a cell and treating cancer through selective inhibition of Shp2.
• Compositions and Methods for the Prevention and Treatment of Osteolysis and Osteoporosis
  申请人：RHODE ISLAND HOSPITAL

  公开号：US20150352131A1

  公开（公告）日：2015-12-10

  This application discloses compositions, devices, and methods for the prevention and treatment of osteolysis and osteoporosis. Treatment or prevention of osteolysis or osteoporosis is carried out by targeting the enzyme, Shp2 (a Src homology 2 (SH2) domain containing non-transmembrane Protein Tyrosine Phosphatase (PTP)), or proteins involved in the Shp2 signaling pathway by administering a Shp2 pathway inhibitor that inhibits fusion of pre-osteoclasts.
• COMPOSITIONS AND METHODS USED IN DIAGNOSING AND TREATING COLORECTAL CANCER
  申请人：Oregon Health & Science University

  公开号：US20190330632A1

  公开（公告）日：2019-10-31

  Disclosed are methods of treating colorectal cancer that involve administering a composition comprising an effective amount of miR-451a to cells in the colorectal cancer and further treating the colorectal cancer cells with ionizing radiation. Also disclosed are methods of predicting whether a colorectal cancer in a subject will respond to ionizing radiation. These methods involve measuring the RNA expression of miR-451a, miR-1322, miR-133-3p, miR-1, miR-205-5p, miR-4521, CAB39, EMSY, or MEX3C in the sample and measuring the RNA expression of the same marker in a control.
• US8623906B2
  申请人：——

  公开号：US8623906B2

  公开（公告）日：2014-01-07