tert-butyl N-(5-fluoro-4-methyl-2-pyridyl)carbamate | 475060-22-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: tert-butyl N-(5-fluoro-4-methyl-2-pyridyl)carbamate
• 英文别名: tert-butyl N-(5-fluoro-4-methyl-pyridin-2-yl)carbamate；tert-Butyl (5-fluoro-4-methylpyridin-2-yl)carbamate；tert-butyl N-(5-fluoro-4-methylpyridin-2-yl)carbamate
• CAS: 475060-22-1
• 化学式: C₁₁H₁₅FN₂O₂
• 分子量: 226.251
• InChiKey: XDTVJOMRLQQOHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl N-(5-fluoro-4-methyl-2-pyridyl)carbamate 在 4-二甲氨基吡啶 、 正丁基锂 、 三氟乙酸 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 xylene 为溶剂， 生成
  参考文献：
  名称：

  MexAB-OprM specific efflux pump inhibitors in Pseudomonas aeruginosa. Part 4: Addressing the problem of poor stability due to photoisomerization of an acrylic acid moiety

  摘要：

  Exchange of the ethylene tether in a series of pyridopyrimidine-based MexAB-OprM specific efflux pump inhibitors to an amide bond stabilized the olefin of the acrylic acid moiety, preventing facile photoisomerization to the Z-isomer. Furthermore, the activity was drastically improved in the amide tether variants, providing extremely potent acrylic acid and vinyl tetrazole analogues. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.007
• 作为产物：
  描述：

  2-氨基-4-甲基-5-硝基吡啶 在 palladium on activated charcoal 盐酸 、 tetrafluoroboric acid 、 氢气 、 sodium nitrite 作用下， 以 乙醇 、 甲苯 、 叔丁醇 为溶剂， 生成 tert-butyl N-(5-fluoro-4-methyl-2-pyridyl)carbamate
  参考文献：
  名称：

  MexAB-OprM specific efflux pump inhibitors in Pseudomonas aeruginosa. Part 4: Addressing the problem of poor stability due to photoisomerization of an acrylic acid moiety

  摘要：

  Exchange of the ethylene tether in a series of pyridopyrimidine-based MexAB-OprM specific efflux pump inhibitors to an amide bond stabilized the olefin of the acrylic acid moiety, preventing facile photoisomerization to the Z-isomer. Furthermore, the activity was drastically improved in the amide tether variants, providing extremely potent acrylic acid and vinyl tetrazole analogues. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.03.007

文献信息

• Drug efflux pump inhibitor
  申请人：DAIICHI PHARMACEUTICAL CO., LTD

  公开号：US20030092720A1

  公开（公告）日：2003-05-15

  A medicament for preventive and/or therapeutic treatment of a microbial infection which comprises as an active ingredient a compound represented by the following general formula (I): 1 wherein, R 1 and R 2 represent hydrogen atom, a halogen atom, hydroxyl group or the like, W 1 represents —CH═CH—, —CH 2 O—, —CH 2 CH 2 — or the like; R 3 represents hydrogen atom, a halogen atom, hydroxyl group or an amino group; R 4 represents hydrogen atom, a group of —OZ 0-4 R 5 (Z 0-4 represents an alkylene group, a fluorine-substituted alkylene group or a single bond, and R 5 represents a cyclic alkyl group, an aryl group or the like); W 2 represents a single bond or —C(R 8 )═C(R 9 )— (R 8 and R 9 represent hydrogen atom, a halogen atom, a lower alkyl group or the like, Q represents an acidic group, but W 2 and Q may together form vinylidenethiazolidinedione or an equivalent heterocyclic ring; m and n represent an integer of 0 to 2, and q represents an integer of 0 to 3.

  一种用于预防和/或治疗微生物感染的药物，其活性成分表示为以下一般式(I)的化合物： 其中，R1和R2代表氢原子、卤素原子、羟基或类似物，W1代表—CH═CH—、—CH2O—、—CH2CH2—或类似物；R3代表氢原子、卤素原子、羟基或氨基；R4代表氢原子、—OZ0-4R5（Z0-4代表烷基链、氟取代的烷基链或单键，R5代表环烷基、芳基或类似物）；W2代表单键或—C(R8)═C(R9)—（R8和R9代表氢原子、卤素原子、较低烷基或类似物，Q代表酸性基团，但W2和Q可以共同形成乙烯基噻唑二酮或等效的杂环环；m和n代表0到2的整数，q代表0到3的整数。
• Medicine for inhibiting drug elimination pump
  申请人：Nakayama Kiyoshi

  公开号：US20050009843A1

  公开（公告）日：2005-01-13

  A medicament for preventive and/or therapeutic treatment of a microbial infection which comprises as an active ingredient a compound represented by the following general formula (I): wherein, R 1 and R 2 represent hydrogen atom, a halogen atom, hydroxyl group or the like, W 1 represents —CH═CH—, —CH 2 O—, —CH 2 CH 2 — or the like; R 3 represents hydrogen atom, a halogen atom, hydroxyl group or an amino group; R 4 represents hydrogen atom, a group of —OZ 0-4 R 5 (Z 0-4 represents an alkylene group, a fluorine-substituted alkylene group or a single bond, and R 5 represents a cyclic alkyl group, an aryl group or the like); W 2 represents a single bond or —C(R 8 )═C(R 9 )—(R 8 and R 9 represent hydrogen atom, a halogen atom, a lower alkyl group or the like, Q represents an acidic group, but W 2 and Q may together form vinylidenethiazolidinedione or an equivalent heterocyclic ring; m and n represent an integer of 0 to 2, and q represents an integer of 0 to 3.

  预防和/或治疗微生物感染的药物，其活性成分为以下通用式（I）所表示的化合物：其中，R1和R2表示氢原子、卤原子、羟基或类似物，W1表示—CH═CH—、—CH2O—、—CH2CH2—或类似物；R3表示氢原子、卤原子、羟基或氨基；R4表示氢原子、—OZ0-4R5（Z0-4表示烷基、氟代烷基或单键，R5表示环烷基、芳基或类似物）；W2表示单键或—C（R8）═C（R9）—（R8和R9表示氢原子、卤原子、低烷基或类似物，Q表示酸性基团，但W2和Q可以共同形成乙烯基噻唑烷二酮或等效的杂环环；m和n表示0至2的整数，q表示0至3的整数。
• [EN] MORPHOLINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF<br/>[FR] DÉRIVÉ DE MORPHOLINE, COMPOSITION PHARMACEUTIQUE ET LEUR UTILISATION<br/>[ZH] 吗啉衍生物及其药物组合物和用途
  申请人：SHANGHAI HAIYAN PHARMACEUTICAL TECH CO LTD

  公开号：WO2022161462A1

  公开（公告）日：2022-08-04

  一种取代的吗啉衍生物，其结构如式(I)所示。此外还公开了该衍生物的药学上可接受的盐、立体异构体、药物组合物以及其用途。
• MEDICINE FOR INHIBITING DRUG ELIMINATION PUMP
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1389463A1

  公开（公告）日：2004-02-18

  A medicament for preventive and/or therapeutic treatment of a microbial infection which comprises as an active ingredient a compound represented by the following general formula (I): wherein, R1 and R2 represent hydrogen atom, a halogen atom, hydroxyl group or the like, W1 represents -CH=CH-, -CH2O-, -CH2CH2- or the like; R3 represents hydrogen atom, a halogen atom, hydroxyl group or an amino group; R4 represents hydrogen atom, a group of -OZ0-4R5 (Z0-4 represents an alkylene group, a fluorine-substituted alkylene group or a single bond, and R5 represents a cyclic alkyl group, an aryl group or the like); W2 represents a single bond or -C(R8)=C(R9)- (R8 and R9 represent hydrogen atom, a halogen atom, a lower alkyl group or the like, Q represents an acidic group, but W2 and Q may together form vinylidenethiazolidinedione or an equivalent heterocyclic ring; m and n represent an integer of 0 to 2, and q represents an integer of 0 to 3.

  一种用于预防和/或治疗微生物感染的药物，其活性成分包括由以下通式(I)代表的化合物： 其中，R1 和 R2 代表氢原子、卤素原子、羟基或类似基团；W1 代表-CH=CH-、-CH2O-、-CH2CH2-或类似基团；R3 代表氢原子、卤素原子、羟基或氨基；R4 代表氢原子、-OZ0-4R5 的基团（Z0-4 代表亚烷基、氟取代的亚烷基或单键，R5 代表环状烷基、芳基或类似基团）；W2 代表单键或-C(R8)＝C(R9)-（R8 和 R9 代表氢原子、卤素原子、低级烷基或类似基团，Q 代表酸性基团，但 W2 和 Q 可共同形成亚乙烯基噻唑烷二酮或等效的杂环；m 和 n 代表 0 至 2 的整数，q 代表 0 至 3 的整数。
• US7056917B2
  申请人：——

  公开号：US7056917B2

  公开（公告）日：2006-06-06