tert-butyl 3-isopropoxyazetidine-1-carboxylate | 871657-51-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环丁烷
• 英文名称: tert-butyl 3-isopropoxyazetidine-1-carboxylate
• 英文别名: 3-Isopropoxy-azetidine-1-carboxylic acid tert-butyl ester；tert-butyl 3-propan-2-yloxyazetidine-1-carboxylate
• CAS: 871657-51-1
• 化学式: C₁₁H₂₁NO₃
• 分子量: 215.293
• InChiKey: YUDMQQRJELHUPM-UHFFFAOYSA-N

物化性质

• 沸点：
  265.0±33.0 °C(Predicted)
• 密度：
  1.02±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-isopropoxyazetidine-1-carboxylate 在 甲醇 、 氯化亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.5h， 生成 N-(4-bromo-2-methylbenzyl)-3-isopropoxyazetidine-1-carboxamide
  参考文献：
  名称：

  [EN] BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY
  [FR] COMPOSÉS BIARYLIQUES UTILES POUR LE TRAITEMENT DE MALADIES HUMAINES EN ONCOLOGIE, NEUROLOGIE ET IMMUNOLOGIE

  摘要：

  本发明提供了作为Bruton's酪氨酸激酶抑制剂的化合物及其组合物，具有适用于同一目的的理想特性。

  公开号：

  WO2015089327A1
• 作为产物：
  描述：

  2-碘代丙烷 、 N-Boc-3-羟基氮杂环丁烷 在 sodium hydride 作用下， 以 二甲基亚砜 为溶剂， 反应 16.0h， 以7%的产率得到tert-butyl 3-isopropoxyazetidine-1-carboxylate
  参考文献：
  名称：

  [EN] BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY
  [FR] COMPOSÉS BIARYLIQUES UTILES POUR LE TRAITEMENT DE MALADIES HUMAINES EN ONCOLOGIE, NEUROLOGIE ET IMMUNOLOGIE

  摘要：

  本发明提供了作为Bruton's酪氨酸激酶抑制剂的化合物及其组合物，具有适用于同一目的的理想特性。

  公开号：

  WO2015089327A1

文献信息

• AMINO ACID COMPOUNDS AND METHODS OF USE
  申请人：Pliant Therapeutics, Inc.

  公开号：US20200109141A1

  公开（公告）日：2020-04-09

  The invention relates to compounds of formula (I): or a salt thereof, wherein R 1 , G, L 1 , L 2 , L 3 , and Y are as described herein. Compounds of formula (I) and pharmaceutical compositions thereof are inhibitors of one, or both of, αvβ 1 integrin and αvβ 6 integrin that are useful for treating fibrosis such as in nonalcoholic steatohepatitis (NASH), idiopathic pulmonary fibrosis (IPF) and nonspecific interstitial pneumonia (NSIP).

  本发明涉及如下公式(I)的化合物： 或其盐，其中R1、G、L1、L2、L3和Y如本文所述。公式(I)的化合物及其药物组合物是αvβ1整合素和/或αvβ6整合素的一种或两种的抑制剂，用于治疗纤维化，如非酒精性脂肪肝炎（NASH）、特发性肺纤维化（IPF）和非特异性间质性肺炎（NSIP）。
• Heteroaryl Benzamide Derivatives for Use as GLK Activators in the Treatment of Diabetes
  申请人：Johnstone Craig

  公开号：US20090253676A1

  公开（公告）日：2009-10-08

  Compounds of Formula (I): wherein: R 1 is hydroxymethyl; R 2 is selected from —C(O)NR 4 R 5 , —SO 2 NR 4 R 5 , —S(O) p R 4 and HET-2; HET-1 is a 5- or 6-membered, optionally substituted C-linked heteroaryl ring; HET-2 is a 4-, 5- or 6-membered, C- or N-linked optionally substituted heterocyclyl ring; R 3 is selected from halo, fluoromethyl, difluoromethyl, trifluoromethyl, methyl, methoxy and cyano; R 4 is selected from for example hydrogen, optionally substituted (1-4C)alkyl and HET-2; R 5 is hydrogen or (1-4C)alkyl; or R 4 and R 5 together with the nitrogen atom to which they are attached may form a heterocyclyl ring system as defined by HET-3; HET-3 is for example an optionally substituted N-linked, 4, 5 or 6 membered, saturated or partially unsaturated heterocyclyl ring; p is (independently at each occurrence) 0, 1 or 2; m is 0 or 1; n is 0, 1 or 2; provided that when m is 0, then n is 1 or 2; or a salt, pro-drug or solvate thereof, are described. Their use as GLK activators, pharmaceutical compositions containing them, and processes for their preparation are also described.

  化学式（I）的化合物：其中：R1为羟甲基；R2选自- C（O）NR4R5，-SO2NR4R5，-S（O）pR4和HET-2; HET-1为5-或6-成员的，可选择性取代C-连接的杂芳基环；HET-2为4-，5-或6-成员的，C-或N-连接的可选择性取代杂环烷基环；R3选自卤素，氟甲基，二氟甲基，三氟甲基，甲基，甲氧基和氰基；R4选自例如氢，可选择性取代的（1-4C）烷基和HET-2；R5为氢或（1-4C）烷基；或R4和R5与它们所附着的氮原子一起可以形成由HET-3定义的杂环烷基环系统；HET-3例如为可选择性取代的N-连接，4、5或6成员的，饱和或部分不饱和的杂环烷基环；p为（每次独立）0、1或2；m为0或1；n为0、1或2；但当m为0时，则n为1或2；或其盐、前药或溶剂。还描述了它们作为GLK激活剂的用途、含有它们的制药组合物以及它们的制备方法。
• Heteroaryl Benzamide Derivatives for Use as Glk Activators in the Treatment of Diabetes
  申请人：Johnstone Craig

  公开号：US20080015203A1

  公开（公告）日：2008-01-17

  Compounds of Formula (I) wherein: R 1 is hydroxymethyl; R 2 is selected from —C(O)NR 4 R 5 , SO 2 NR 4 R 5 , S(O) p R 4 and HET-2; HET-1 is a 5- or 6-membered, optionally substituted C-linked heteroaryl ring; HET-2 is a 4-, 5- or 6-membered, C- or N-linked optionally substituted heterocyclyl ring; R 3 is selected from halo, fluoromethyl, difluoromethyl, trifluoromethyl, methyl, methoxy and cyano; R 4 is selected from for example hydrogen, optionally substituted (1-4C)alkyl and HET-2; R 5 is hydrogen or (1-4C)alkyl; or R 4 and R 5 together with the nitrogen atom to which they are attached may form a heterocyclyl ring system as defined by HET-3; HET-3 is for example an optionally substituted N-linked, 4, 5 or 6 membered, saturated or partially unsaturated heterocyclyl ring; p is (independently at each occurrence) 0, 1 or 2; m is 0 or 1; n is 0, 1 or 2; provided that when m is 0, then n is 1 or 2; or a salt, pro drug or solvate thereof, are described. Their use as GLK activators, pharmaceutical compositions containing them, and processes for their preparation are also described.

  化合物的公式(I)，其中：R1为羟甲基；R2选自—C(O)NR4R5，SO2NR4R5，S(O)pR4和HET-2；HET-1为5-或6-成员的、可选地取代的C-连接杂芳基环；HET-2是4-、5-或6-成员的、可选地取代的杂环基环，可以是C-或N-连接；R3选自卤素、氟甲基、二氟甲基、三氟甲基、甲基、甲氧基和氰基；R4选自例如氢、可选地取代的(1-4C)烷基和HET-2；R5为氢或(1-4C)烷基；或者R4和R5与它们连接的氮原子一起可以形成由HET-3定义的杂环基环系统；HET-3例如为可选地取代的N-连接的、4、5或6成员的、饱和或部分不饱和的杂环基环；p是（每次独立地）0、1或2；m是0或1；n是0、1或2；但是当m为0时，n为1或2；或其盐、前药或溶剂。还描述了它们作为GLK激活剂的用途、包含它们的制药组合物以及它们的制备方法。
• AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1
  申请人：HOLCOMB Ryan C.

  公开号：US20120238540A1

  公开（公告）日：2012-09-20

  The invention relates to certain amino-pyrimidine compounds that inhibit IKK epsilon and/or TBK1, methods of making such compounds, pharmaceutical compositions comprising such compounds, and the use of these compounds in treating a variety of diseases and disorders.

  本发明涉及一些氨基嘧啶化合物，可抑制IKK epsilon和/或TBK1，制备这种化合物的方法，包含这种化合物的药物组合物，以及在治疗各种疾病和疾病失调中使用这些化合物的方法。
• AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON
  申请人：Alzheimer's Institute of America

  公开号：US20150352108A1

  公开（公告）日：2015-12-10

  The invention relates to certain amino-pyrimidine compounds which inhibit TBK1 and/or IKK epsilon and which may therefore find application in treating inflammation, cancer, septic shock and/or Primary open Angle Glaucoma (POAG).

  该发明涉及某些氨基嘧啶化合物，其抑制TBK1和/或IKK epsilon，因此可能在治疗炎症、癌症、感染性休克和/或原发性开角青光眼（POAG）方面找到应用。