1-(1-甲基乙基)-3-吖丁啶羧酸 | 959238-28-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环丁烷
• 中文名称: 1-(1-甲基乙基)-3-吖丁啶羧酸
• 英文名称: 1-isopropyl-azetidine-3-carboxylic acid
• 英文别名: 1-Isopropylazetidine-3-carboxylic acid；1-propan-2-ylazetidine-3-carboxylic acid
• CAS: 959238-28-9
• 化学式: C₇H₁₃NO₂
• 分子量: 143.186
• InChiKey: GVMUGUGCWQHJGM-UHFFFAOYSA-N

物化性质

• 沸点：
  232.3±33.0 °C(Predicted)
• 密度：
  1.132±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  存放于室温、干燥环境中，并请密封保存。

反应信息

• 作为反应物：
  描述：

  1-(1-甲基乙基)-3-吖丁啶羧酸 在 lithium aluminium tetrahydride 、 偶氮二甲酸二异丙酯 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 生成 2-Chloro-5-[(1-propan-2-ylazetidin-3-yl)methoxy]pyrimidine
  参考文献：
  名称：

  EP3919492

  摘要：

  公开号：
• 作为产物：
  描述：

  3-吖丁啶羧酸 、 丙酮 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 20.0 ℃ 、137.9 kPa 条件下， 以85%的产率得到1-(1-甲基乙基)-3-吖丁啶羧酸
  参考文献：
  名称：

  New azetidine-3-carbonyl-N-methyl-hydrazino derivatives of fluoroquinolones: synthesis and evaluation of antibacterial and anticancer properties

  摘要：

  A series of nine new N-(substituted azetidine-3-carbonyl)-N-methyl-hydrazino derivatives at C-7 position of fluoroquinolones were designed and synthesized through multistep synthesis. The synthesized compounds were characterized by H-1 NMR, C-13 NMR, ESI-MS and IR. The new compounds were tested for their in vitro antimicrobial and anti-proliferative activity. Out of the nine derivatives, compound 6i exhibited good antibacterial activity by inhibiting the growth of Methicillin-sensitive Staphylococcus aureus, Methicillin-resistant S. aureus and ATCC 35218 Escherichia coli (MIC: 0.25-16.00 mu g/mL). Compounds 6c, 6g-h are displayed good growth inhibition against MCF-7 Breast carcinoma, HCT-116 Colon carcinoma and A549 Lung adenocarcinoma cell lines. Compound 6h is the most active against MCF-7 cell line with superior growth inhibition compared to ciprofloxacin and reference anticancer drug SAHA.

  DOI：

  10.1007/s00044-013-0873-0

文献信息

• [EN] NEW TETRACYCLINE DERIVATIVES AS ANTIINFECTIVE AGENTS<br/>[FR] NOUVEAU DÉRIVÉS DE TÉTRACYCLINE EN TANT QU'AGENTS ANTI-INFECTIEUX
  申请人：REDDYS LAB LTD DR

  公开号：WO2009032326A1

  公开（公告）日：2009-03-12

  In accordance with one embodiment, the present invention provides a compound of general formula (I), stereoisomers thereof and/or its pharmaceutically acceptable salts thereof, which have antibacterial activity; with methods of treating infectious diseases in warm blooded animals employing these new compounds.

  根据一种实施例，本发明提供了通式（I）的化合物，其立体异构体和/或其药学上可接受的盐，具有抗菌活性；采用这些新化合物治疗温血动物感染性疾病的方法。
• DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR
  申请人：MEDSHINE DISCOVERY INC.

  公开号：US20170197986A1

  公开（公告）日：2017-07-13

  Disclosed is a dihydropyrimido fused ring derivative as a HBV inhibitor, and in particular relates to a compound shown as formula (I) or a pharmaceutically acceptable salt thereof.

  本发明公开了一种二氢嘧啶并环衍生物作为HBV抑制剂，特别涉及一种如下式（I）所示的化合物或其药用可接受的盐。
• [EN] HETEROARYL-BIPHENYL AMIDES FOR THE TREATMENT OF PD-L1 DISEASES<br/>[FR] AMIDES HÉTÉROARYLE-BIPHÉNYLE POUR LE TRAITEMENT DE MALADIES ASSOCIÉES À PD-L1
  申请人：CHEMOCENTRYX INC

  公开号：WO2021076691A1

  公开（公告）日：2021-04-22

  Compounds are provided that are useful as immunomodulators. The compounds have the Formula (I) including stereoisomers and pharmaceutically acceptable salts thereof, wherein R2a, R2b, R3, R3a, R4, R6, R7, R8, A, Z, X1 and n are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

  提供了作为免疫调节剂有用的化合物。这些化合物具有包括立体异构体和其药用可接受盐的化学式（I），其中R2a、R2b、R3、R3a、R4、R6、R7、R8、A、Z、X1和n的定义如本文所述。还公开了与制备和使用这些化合物相关的方法，以及包含这些化合物的药物组合物。
• Alkoxy indolinone based protein kinase inhibitors
  申请人：Liang Congxin

  公开号：US20070072934A1

  公开（公告）日：2007-03-29

  Alkoxy indolinone based acid and amide derivatives have enhanced and unexpected drug properties as inhibitors of protein kinases and are useful in treating disorders related to abnormal protein kinase activities such as cancer.

  基于Alkoxy吲哚酮的酸和酰胺衍生物具有增强和意想不到的药物特性，可作为蛋白激酶抑制剂，并可用于治疗与异常蛋白激酶活性相关的疾病，如癌症。
• [EN] HETEROARYL-BIPHENYL AMINES FOR THE TREATMENT OF PD-L1 DISEASES<br/>[FR] HÉTÉROARYL-BIPHÉNYLAMINES POUR LE TRAITEMENT DE MALADIES PD-L1
  申请人：CHEMOCENTRYX INC

  公开号：WO2021076688A1

  公开（公告）日：2021-04-22

  Compounds are provided that are useful as immunomodulators. The compounds have the Formula (I) including stereoisomers and pharmaceutically acceptable salts thereof, wherein R2a, R2b, R3, R3a, R4, R6, R7, R8, A, Z, X1 and n are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

  提供了作为免疫调节剂有用的化合物。这些化合物具有公式（I），包括立体异构体和其药用盐，其中R2a、R2b、R3、R3a、R4、R6、R7、R8、A、Z、X1和n的定义如本文所述。还公开了与制备和使用这些化合物相关的方法，以及包含这些化合物的药物组合物。