1-tert butyl-4-amino-3-phenylpyrazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-tert butyl-4-amino-3-phenylpyrazole
• 英文别名: 1-tert-butyl-4-amino-3-phenylpyrazole；1-(1,1-Dimethylethyl)-3-phenyl-1H-pyrazol-4-amine；1-tert-butyl-3-phenylpyrazol-4-amine
• 化学式: C₁₃H₁₇N₃
• 分子量: 215.298
• InChiKey: AALQSKGICHOYJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-(1-苯基乙酮-2-基)异吲哚啉-1,3-二酮 以 乙醇 、 水 为溶剂， 反应 117.25h， 生成 1-tert butyl-4-amino-3-phenylpyrazole 、 1-tert butyl-4-amino-5-phenylpyrazole
  参考文献：
  名称：

  [EN] HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS
  [FR] DÉRIVÉS HÉTÉROCYCLIQUES CONVENANT COMME COMPOSÉS SE LIANT AUX INHIBITEURS DE PROTÉINES D'APOPTOSE

  摘要：

  本发明涉及式(I)的化合物，或其药学上可接受的盐、溶剂化合物，这些化合物与凋亡抑制蛋白(IAPs)结合。本发明的化合物可用作诊断和治疗剂，用于治疗增殖性疾病，如癌症，促进增殖细胞中的凋亡，并使细胞对凋亡诱导剂敏感。本发明还提供了具有式(VI)或(VII)的聚合物化合物，包括至少两个式(I)化合物的单体单位，或至少一个式(I)化合物的单体单位和实体E。本发明还涉及包含所述式(I)、(VI)和(VII)化合物的药物组合物以及在医学中使用所述化合物的用途。

  公开号：

  WO2009152824A1

文献信息

• Inhibitors of IAP
  申请人：Cohen Frederick

  公开号：US20060014700A1

  公开（公告）日：2006-01-19

  The invention provides novel inhibitors of IAP that are useful as therapeutic agents for treating malignancies where the compounds have the general formula I: wherein X, Y, A, R 1 , R 2 , R 3 , R 4 , R 4 ′, R 5 , R 5 ′, R 6 and R 6 ′ are as described herein.

  这项发明提供了IAP的新型抑制剂，可作为治疗恶性肿瘤的治疗剂，其中化合物具有一般式I：其中X、Y、A、R1、R2、R3、R4、R4'、R5、R5'、R6和R6'如本文所述。
• INHIBITORS OF IAP
  申请人：Cohen Frederick

  公开号：US20100256115A1

  公开（公告）日：2010-10-07

  The invention provides novel inhibitors of IAP that are useful as therapeutic agents for treating malignancies where the compounds have the general formula I: wherein X, Y, A, R 1 , R 2 , R 3 , R 4 , R 4 ′, R 5 , R 5 ′, R 6 and R 6 ′ are as described herein.

  该发明提供了一种新型IAP抑制剂，可用作治疗恶性肿瘤的治疗剂，其中该化合物具有一般式I，其中X，Y，A，R1，R2，R3，R4，R4'，R5，R5'，R6和R6'如此描述。
• IAP BINDING COMPOUNDS
  申请人：Lundorf Mikkel Dybro

  公开号：US20110230419A1

  公开（公告）日：2011-09-22

  The present invention relates to compounds of formula (I), or pharmaceutically acceptable salts, solvates or prodrugs thereof, that bind to Inhibitor of Apoptosis Proteins (IAPs). The compounds of the invention may be used as diagnostic and therapeutic agents in the treatment of proliferative diseases, such as cancer, for promoting apoptosis in proliferating cells, and for sensitizing cells to inducers of apoptosis. The present invention furthermore provides a polymeric compound of formulas (VI) or (VII), comprising either at least two monomeric units of compounds of formula (I), or at least one monomeric unit of a compound of formula (I) and an entity E. The present invention further relates to pharmaceutical compositions comprising said compounds of formulas (I), (VI), and (VII) and the use of said compounds in medicine.

  本发明涉及式(I)的化合物，或其药学上可接受的盐、溶剂化合物或前药，其与凋亡抑制蛋白（IAPs）结合。本发明的化合物可用作诊断和治疗增生性疾病，例如癌症，促进增殖细胞的凋亡，并使细胞对凋亡诱导剂敏感。本发明还提供式(VI)或(VII)的聚合物化合物，其中包括至少两个式(I)的单体单位，或至少一个式(I)的单体单位和一个实体E。本发明还涉及包含上述化合物的药物组合物，以及在医学中使用上述化合物的用途。
• High affinity inhibitors for target validation and uses thereof
  申请人：Princeton University

  公开号：EP1321467A2

  公开（公告）日：2003-06-25

  An inhibitor that does not inhibit a catalytic activity of a wild-type protein kinase but inhibits the same catalytic activity of the corresponding mutant protein kinase, wherein the wild-type protein kinase and the mutant protein kinase are functionally similar.

  一种抑制剂，它不能抑制野生型蛋白激酶的催化活性，但能抑制相应突变型蛋白激酶的相同催化活性，其中野生型蛋白激酶和突变型蛋白激酶在功能上相似。
• Engineered protein kinases which can utilize modified nucleotide triphosphate substrates
  申请人：PRINCETON UNIVERSITY

  公开号：EP1607481A1

  公开（公告）日：2005-12-21

  Engineered protein kinases which can utilize modified nucleotide triphosphate substrates that are not as readily utilized by the wild-type forms of those enzymes, and methods of making and using them. Modified nucleotide triphosphate substrates and methods of making and using them. Methods for using such engineered kinases and such modified substrates to identify which protein substrates the kinases act upon, to measure the extent of such action, and to determine if test compounds can modulate such action. Also engineered forms of multi-substrate enzymes which covalently attach part or all of at least one (donor) substrate to at least one other (recipient) substrate, which engineered forms will accept modified substrates that are not as readily utilized by the wild-type forms of those enzymes. Methods for making and using such engineered enzymes. Modified substrates and methods of making and using them. Methods for using such engineered enzymes and such modified substrates to identify the recipient substrates the enzymes act upon, to measure the extent of such action, and to measure whether test compounds modulate such action.

  可利用野生型蛋白激酶不易利用的经修饰的三磷酸核苷酸底物的工程蛋白激酶，以及制造和使用它们的方法。经修饰的核苷酸三磷酸底物及其制造和使用方法。使用这种工程激酶和这种修饰底物的方法，以确定激酶作用于哪些蛋白质底物，测量这种作用的程度，并确定试验化合物是否能调节这种作用。还有多底物酶的工程形式，这种酶将至少一种（供体）底物的部分或全部共价连接到至少另一种（受体）底物上，这种工程形式将接受野生型酶不易利用的修饰底物。制造和使用这种工程酶的方法。改良底物及其制造和使用方法。使用这种工程酶和这种改良底物的方法，以确定酶作用的受体底物，测量这种作用的程度，以及测量试验化合物是否调节这种作用。