反式-3-氨基-1-甲基环丁醇 | 1363381-26-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 反式-3-氨基-1-甲基环丁醇
• 英文名称: 3-amino-1-methylcyclobutan-1-ol
• CAS: 1363381-26-3
• 化学式: C₅H₁₁NO
• 分子量: 101.148
• InChiKey: FAAHPGXMUSQMLD-UHFFFAOYSA-N

物化性质

• 沸点：
  156.4±33.0 °C(Predicted)
• 密度：
  1.076±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  反式-3-氨基-1-甲基环丁醇 在 caesium carbonate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 24.0h， 生成 tert-butyl 4-[8-(3-hydroxy-3-methylcyclobutyl)-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-8-methyl-2,3-dihydroquinoxaline-1-carboxylate
  参考文献：
  名称：

  [EN] DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775
  [FR] DÉCOUVERTE D'UN INHIBITEUR COVALENT DE L'EGFR PAR LE BIAIS DE LA CYSTÉINE 775

  摘要：

  The disclosure relates to compounds that act as inhibitors of epidermal growth factor receptor (EGFR); pharmaceutical compositions comprising the compounds; and methods of treating or preventing kinase-mediated disorders, including cancer and other proliferation diseases.

  公开号：

  WO2023196409A1
• 作为产物：
  描述：

  1-methylcyclobutane-1,3-diol 在 4-二甲氨基吡啶 、 sodium azide 、 palladium 10% on activated carbon 、 氢气 、 potassium carbonate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 34.0h， 生成 反式-3-氨基-1-甲基环丁醇
  参考文献：
  名称：

  CN115322106

  摘要：

  公开号：

文献信息

• SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS
  申请人：Bayer AG

  公开号：EP3800188A1

  公开（公告）日：2021-04-07

  The present application relates to novel pyrazolopyrimidine derivatives for treatment and/or prophylaxis of diseases and to the use thereof for production of medicaments for treatment and/or prophylaxis of diseases in humans and in animals, especially of proliferative disorders, autoimmune disorders, metabolic and inflammatory disorders characterized by an overreacting immune system, in particular rheumatological disorders, inflammatory skin disorders, cardiovascular disorders, lung disorders, eye disorders, neurological disorders, pain disorders and cancer, in human as well as of allergic and/or inflammatory diseases in animals, especially of atopic dermatitis and/or Flea Allergy Dermatitis, and especially in domestic animals, particularly in dogs.

  本申请涉及用于治疗和/或预防疾病的新的吡唑并嘧啶衍生物，以及将它们用于生产用于治疗和/或预防人类和动物疾病的药物，尤其是增殖性疾病、自身免疫性疾病、代谢和炎症性疾病，这些疾病的特点是免疫系统过度反应，特别是风湿性疾病、炎症性皮肤病、心血管疾病、肺部疾病、眼病、神经系统疾病、疼痛疾病和癌症，在人类中，以及动物的过敏性/或炎症性疾病，特别是异位性皮炎和/或跳蚤过敏性皮炎，尤其是在家养动物中，特别是在狗中。
• Efficient Synthesis of <i>trans</i>-3-Amino-1-methylcyclobutan-1-ol
  作者：Yihang Wei、Fan Yang、Yuehan Wang、Xinhua Cui、Xuechen Yang、Yuhang Gao、Yajing Liu

  DOI：10.1080/00304948.2022.2151811

  日期：——

  Published in Organic Preparations and Procedures International: The New Journal for Organic Synthesis (Vol. 55, No. 4, 2023)

  发表于《国际有机制备和程序：有机合成新杂志》（第 55 卷，第 4 期，2023 年）
• The exploration of aza-quinolines as hematopoietic prostaglandin D synthase (H-PGDS) inhibitors with low brain exposure
  作者：Rodolfo Cadilla、David N. Deaton、Young Do、Patricia A. Elkins、Daniela Ennulat、Jeffrey H. Guss、Jason Holt、Michael R. Jeune、Andrew G. King、Jan C. Klapwijk、H. Fritz Kramer、Nicholas J. Kramer、Susan B. Laffan、Paresh I. Masuria、Alan V. McDougal、Paul N. Mortenson、Caterina Musetti、Gregory E. Peckham、Beth L. Pietrak、Chuck Poole、Daniel J. Price、Alan R. Rendina、Girish Sati、Gordon Saxty、Barry G. Shearer、Lisa M. Shewchuk、Helen F. Sneddon、Eugene L. Stewart、J. Darren Stuart、Dean N. Thomas、Stephen A. Thomson、Paris Ward、Joseph W. Wilson、Tiahshun Xu、Mark A. Youngman

  DOI：10.1016/j.bmc.2020.115791

  日期：2020.12

  GlaxoSmithKline and Astex Pharmaceuticals recently disclosed the discovery of the potent H-PGDS inhibitor GSK2894631A 1a (IC₅₀ = 9.9 nM) as part of a fragment-based drug discovery collaboration with Astex Pharmaceuticals. This molecule exhibited good murine pharmacokinetics, allowing it to be utilized to explore H-PGDS pharmacology in vivo. Yet, with prolonged dosing at higher concentrations, 1a induced CNS toxicity. Looking to attenuate brain penetration in this series, aza-quinolines, were prepared with the intent of increasing polar surface area. Nitrogen substitutions at the 6- and 8-positions of the quinoline were discovered to be tolerated by the enzyme. Subsequent structure activity studies in these aza-quinoline scaffolds led to the identification of 1,8-naphthyridine 1y (IC₅₀ = 9.4 nM) as a potent peripherally restricted H-PGDS inhibitor. Compound 1y is efficacious in four in vivo inflammatory models and exhibits no CNS toxicity.
• A Potent and Highly Efficacious Bcl-2/Bcl-xL Inhibitor
  作者：Angelo Aguilar、Haibin Zhou、Jianfang Chen、Liu Liu、Longchuan Bai、Donna McEachern、Chao-Yie Yang、Jennifer Meagher、Jeanne Stuckey、Shaomeng Wang

  DOI：10.1021/jm4001105

  日期：2013.4.11

  Our previously reported Bcl-2/Bcl-xL inhibitor, 4, effectively inhibited tumor growth but failed to achieve complete regression in vivo. We have now performed extensive modifications on its pyrrole core structure, which has culminated in the discovery of 32 (BM-1074). Compound 32 binds to Bcl-2 and Bcl-xL proteins with K-i values of <1 nM and inhibits cancer cell growth with IC50 values of 1-2 nM in four small-cell lung cancer cell lines sensitive to potent and specific Bcl-2/Bcl-xL inhibitors. Compound 32 is capable of achieving rapid, complete, and durable tumor regression in vivo at a well-tolerated dose schedule. Compound 32 is the most potent and efficacious Bcl-2/Bcl-xL inhibitor reported to date.
• WO2019196803A5
  申请人：——

  公开号：WO2019196803A5

  公开（公告）日：2022-04-07