3-(2,2-二甲基-丙基)-异噁唑-5-胺 | 749902-10-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 3-(2,2-二甲基-丙基)-异噁唑-5-胺
• 英文名称: 3-(2,2-dimethylpropyl)-1,2-oxazol-5-amine
• 英文别名: 3-(2,2-dimethyl-propyl)-isoxazol-5-ylamine；3-Neopentylisoxazol-5-amine
• CAS: 749902-10-1
• 化学式: C₈H₁₄N₂O
• mdl: MFCD06335752
• 分子量: 154.212
• InChiKey: YHCHATDVXPJZKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.625
• 拓扑面积：
  52
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  3-(2,2-二甲基-丙基)-异噁唑-5-胺 在 N-甲基咪唑 、 N,N,N',N'-tetramethylchloroformamidinium hexafluorophosphate 、 Selectfluor 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 3.5h， 生成 2-[4-[5-amino-4-cyano-1-[2,2,2-trideuterio-1-(trideuteriomethyl)ethyl]pyrazol-3-yl]phenyl]-N-[3-(2,2-dimethylpropyl)-4-fluoroisoxazol-5-yl]propanamide
  参考文献：
  名称：

  [EN] COMPOUNDS USEFUL FOR INHIBITING RET KINASE
  [FR] COMPOSÉS UTILES POUR INHIBER LA KINASE RET

  摘要：

  本文提供了根据公式（I）的RET激酶抑制剂，其药学上可接受的盐，药物组合物以及它们在治疗可用RET激酶抑制剂治疗的疾病中的使用方法，包括与RET相关的疾病和疾病。A、R1、n、X1、X2、X3、X4和R2在规范中给出了它们的含义。

  公开号：

  WO2021222017A1
• 作为产物：
  描述：

  叔丁基乙酸乙酯 、 乙腈 在 sodium hydride 、 羟胺 作用下， 生成 3-(2,2-二甲基-丙基)-异噁唑-5-胺
  参考文献：
  名称：

  Approach to the Library of Fused Pyridine-4-carboxylic Acids by Combes-Type Reaction of Acyl Pyruvates and Electron-Rich Amino Heterocycles

  摘要：

  A library of fused pyridine-4-carboxylic acids (including pyrazolo[3,4-b]pyridines, isoxazolo[5,4-b]pyridines, furo[2,3-b]pyridines, thieno[2,3-b]pyridines, and pyrido[2,3-d]pyrimidines) was generated by Combes-type reaction of acyl pyruvates and electron-rich amino heterocycles followed by hydrolysis of the ester. The library members were also demonstrated to undergo the standard combinatorial transformations including amide coupling and esterification, as well as less common heterocyclizations to 1,2,4-triazoles and 1,2,4-oxadiazoles.

  DOI：

  10.1021/cc100040q

文献信息

• Reactions of 3-(Polyfluoroacyl)chromenones with Heterocyclic Amines: Novel Synthesis of Polyfluoroalkyl-Containing Fused Pyridines
  作者：Viktor Iaroshenko、Anton Kotljarov、Dmitriy Volochnyuk、Roman Irgashev、Vyacheslav Sosnovskikh

  DOI：10.1055/s-0029-1216995

  日期：2009.11

  The selectivity of the reactions of 3-(polyfluoroacyl)-4H-chromen-4-ones with a wide range of aminoheterocycles and arylamines has been evaluated. The method described facilitates access to polyfluoroalkyl-containing fused pyridines. aminoheterocycles - arylamines - condensation - chroman-4-ones - polyfluoroalkyl - fused pyridines

  的3-（polyfluoroacyl）-4的反应的选择性ħ -苯并吡喃-4-酮与各种氨基杂环和芳基胺的已经被评价。所述方法有助于获得含多氟烷基的稠合吡啶。 氨基杂环-芳胺-缩合-苯并吡喃-4-酮-多氟烷基-稠合吡啶
• HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES
  申请人：ARTMANN, III Gerald David

  公开号：US20120245187A1

  公开（公告）日：2012-09-27

  The invention relates to novel organic compounds of formula (I) and their use in the treatment of the animal or human body, to pharmaceutical compositions comprising a compound of formula I and to the use of a compound of formula I for the preparation of pharmaceutical compositions for use in the treatment of protein kinase dependent diseases, especially of proliferative diseases, such as in the treatment of tumour diseases and ocular neovascular diseases.

  本发明涉及一种新型有机化合物(I)及其在动物或人体治疗中的应用，包括含有化合物I的制药组合物以及利用化合物I制备用于治疗蛋白激酶依赖性疾病的制药组合物的应用，特别是在治疗增殖性疾病，如肿瘤疾病和眼部新生血管疾病方面的应用。
• Heterobicyclic Carboxamides as inhibitors for kinases
  申请人：Artmann, III Gerald David

  公开号：US20100168082A1

  公开（公告）日：2010-07-01

  The invention relates to novel organic compounds of formula (I) and their use in the treatment of the animal or human body, to pharmaceutical compositions comprising a compound of formula I and to the use of a compound of formula I for the preparation of pharmaceutical compositions for use in the treatment of protein kinase dependent diseases, especially of proliferative diseases, such as in the treatment of tumour diseases and ocular neovascular diseases.

  本发明涉及一种新型有机化合物(I)及其在动物或人体治疗中的应用，包括含有化合物I的药物组合物，以及利用化合物I制备用于治疗蛋白激酶依赖性疾病的药物组合物，特别是用于治疗增殖性疾病，如肿瘤疾病和眼部新生血管疾病的治疗。
• Pyrrolidine Compounds Which Modulate The CB2 Receptor
  申请人：Berry Angela

  公开号：US20120142677A1

  公开（公告）日：2012-06-07

  Compounds which modulate the CB2 receptor are disclosed. Compounds according to the invention bind to and are agonists of the CB2 receptor, and are useful for treating inflammation. Those compounds which are agonists are additionally useful for treating pain. (I)

  本发明揭示了调节CB2受体的化合物。本发明的化合物结合并激动CB2受体，并且可用于治疗炎症。那些是激动剂的化合物还可用于治疗疼痛。 (I)
• Discovery of a new class of p38 kinase inhibitors
  作者：Jacques Dumas、Robert Sibley、Bernd Riedl、Mary Katherine Monahan、Wendy Lee、Timothy B Lowinger、Anikó M Redman、Jeffrey S Johnson、Jill Kingery-Wood、William J Scott、Roger A Smith、Mark Bobko、Robert Schoenleber、Gerald E Ranges、Timothy J Housley、Ajay Bhargava、Scott M Wilhelm、Alka Shrikhande

  DOI：10.1016/s0960-894x(00)00270-5

  日期：2000.9

  The MAP kinase p38 has been implicated in cytokine signaling, and its inhibitors are potentially useful for the treatment of arthritis and osteoporosis. Novel small-molecule inhibitors of p38 kinase were derived from a combinatorial chemistry effort and exhibit activity in the nanomolar range. Very steep structure-activity relationships are observed within this class. (C) 2000 Elsevier Science Ltd. All rights reserved.