5-溴-2-(4-氟-苯氧基)-吡啶 | 936343-65-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 5-溴-2-(4-氟-苯氧基)-吡啶
• 英文名称: 5-bromo-2-(4-fluorophenoxy)pyridine
• CAS: 936343-65-6
• 化学式: C₁₁H₇BrFNO
• 分子量: 268.085
• InChiKey: AAJHDBCTINSRCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  22.1
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P305+P351+P338,P330,P332+P313,P337+P313,P362,P403+P233,P405,P501
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  5-溴-2-(4-氟-苯氧基)-吡啶 在 氢溴酸 、 palladium diacetate 、 sodium hydride 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 、 sodium t-butanolate 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 51.5h， 生成 (6S)-2-nitro-6-[(6-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}pyridin-3-yl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
  参考文献：
  名称：

  Synthesis and Structure–Activity Relationships for Extended Side Chain Analogues of the Antitubercular Drug (6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PA-824)

  摘要：

  Novel extended side chain nitroimidazooxazine analogues featuring diverse linker groups between two aryl rings were studied as a potential strategy to improve solubility and oral activity against chronic infection by Mycobacterium tuberculosis. Both lipophilic and highly polar functionalities (e.g., carboxamide, alkylamine, piperazine, piperidine, but not sulfonamide) were well tolerated in vitro, and the hydrophilic linkers provided some solubility improvements, particularly in combination with pyridine rings. Most of the 18 compounds further assessed showed high microsomal stabilities, although in the acute infection mouse model, just one stilbene (6-fold) and two pyridine-containing acetylene derivatives (5-fold and >933-fold) gave in vivo efficacies notably superior to the clinical stage compound pretomanid (PA-824). The most efficacious analogue also displayed outstanding in vivo activity in the stringent chronic model (up to 24-fold better than the drug delamanid and 4-fold greater than our previous best phenylpyridine candidate), with favorable pharmacokinetics, including good oral bioavailability in the rat.

  DOI：

  10.1021/jm501608q
• 作为产物：
  描述：

  2,5-二溴吡啶 、 4-氟苯酚 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.17h， 以75%的产率得到5-溴-2-(4-氟-苯氧基)-吡啶
  参考文献：
  名称：

  Heterocycles substituted pyridine derivatives and antifungal agent containing thereof

  摘要：

  本发明的一个目的是提供一种具有优异的抗真菌效果并在其物理性质、安全性和代谢稳定性方面优越的抗真菌剂。根据本发明，公开了以下式(I)所代表的化合物或其盐： 其中R1代表氢原子、卤素原子、氨基、C1-6烷基、C1-6烷氧基或C1-6烷氧基C1-6烷基；R2代表氢原子、C1-6烷基、氨基或二C1-6烷基氨基中的一个；X和Y中的一个是氮原子，另一个是氮原子或氧原子；环A代表一个5-或6-成员杂芳基环或可能具有卤素原子、1个或2个C1-6烷基的苯环；Z代表一个单键、一个亚甲基基、一个乙烯基、一个氧原子、一个硫原子、-CH2O-、-OCH2-、-NH-、-CH2NH-、-NHCH2-、-CH2S-或-SCH2-；R3代表氢原子、卤素原子、C1-6烷基、C3-8环烷基、C6-10芳基、一个5-或6-成员杂芳基、或可能具有1个或2个取代基的5-或6-成员非芳香杂环基；R4代表氢原子或卤素原子。

  公开号：

  US20070105904A1

文献信息

• [EN] 4,4A,5,7,8,8A-HEXAPYRIDO[4,3-B][1,4]OXAZIN-3-ONE COMPOUNDS AS MAGL INHIBITORS<br/>[FR] COMPOSÉS 4,4A,5,7,8,8 A-HEXAPYRIDO [4,3-B] [1,4] OXAZIN-3-ONE EN TANT QU'INHIBITEURS DE MAGL
  申请人：HOFFMANN LA ROCHE

  公开号：WO2021048242A1

  公开（公告）日：2021-03-18

  The invention provides new heterocyclic compounds having the general formula (I) wherein A, B, L1, X, m, n, and R1 to R7 are as described herein, compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds as monoacylglycerol lipase (MAGL) inhibitors.

  这项发明提供了具有一般式(I)的新杂环化合物，其中A、B、L1、X、m、n以及R1到R7如本文所述，包括这些化合物的组合物，制造这些化合物的方法以及将这些化合物用作单酰基甘油酶（MAGL）抑制剂的方法。
• [EN] ANTIMALARIAL COMPOUNDS<br/>[FR] COMPOSÉS ANTIPALUDIQUES
  申请人：LIVERPOOL SCHOOL TROPICAL MEDICINE

  公开号：WO2012069856A1

  公开（公告）日：2012-05-31

  The present invention relates to antimalarial compounds. More specifically, the present invention relates to novel substituted quinolone derivatives of formula (I) and related quinoline derivatives of formula (II) as defined herein that possess potent antimalarial activity. The present invention also relates to processes for the preparation of these quinolone and quinoline derivatives, to pharmaceutical compositions comprising them and to their use as therapeutic agents for the treatment and/or prevention of malaria.

  本发明涉及抗疟疾化合物。更具体地，本发明涉及具有强效抗疟活性的本发明中定义的新型取代喹诺酮衍生物（式（I））和相关喹啉衍生物（式（II））。本发明还涉及制备这些喹诺酮和喹啉衍生物的方法，包括含有它们的药物组合物以及它们作为治疗和/或预防疟疾的治疗剂的用途。
• PYRIDINE DERIVATIVES SUBSTITUTED BY HETEROCYCLIC RING AND PHOSPHONOAMINO GROUP, AND ANTI-FUNGAL AGENT CONTAINING SAME
  申请人：Tanaka Keigo

  公开号：US20090082403A1

  公开（公告）日：2009-03-26

  Anti-fungal agent having excellent anti-fungal action physicochemical properties including safety and water solubility. Compound represented by formula (I), or salt thereof: wherein R 1 represents hydrogen, halogen, amino, R 11 —NH— wherein R 11 represents C 1-6 alkyl, hydroxy C 1-6 alkyl, C 1-6 alkoxy C 1-6 alkyl, or C 1-6 alkoxycarbonyl C 1-6 alkyl, R 12 —(CO)—NH— wherein R 12 represents C 1-6 alkyl group or C 1-6 alkoxy C 1-6 alkyl, C 1-6 alkyl, hydroxy C 1-6 alkyl, cyano C 1-6 alkyl, C 1-6 alkoxy, or C 1-6 alkoxy C 1-6 alkyl or a phosphonoamino group; R 2 represents hydrogen, C 1-6 alkyl, amino, or a di C 1-6 alkylamino group or a phosphonoamino group; one of X and Y is nitrogen while the other is nitrogen or oxygen; ring A represents a 5- or 6-member heteroaryl ring or a benzene ring which may have a halogen atom or 1 or 2 C 1-6 alkyl groups; Z represents a single bond, a methylene group, an ethylene group, oxygen, sulfur, —CH 2 O—, —OCH 2 —, —NH—, —CH 2 NH—, —NHCH 2 —, —CH 2 S—, or —SCH 2 —; R 3 represents hydrogen or halogen or C 1-6 alkyl, C 3-8 cycloalkyl, C 6-10 aryl, a 5- or 6-member heteroaryl group or a 5- or 6-member nonaromatic heterocyclic group which may have 1 or 2 substituents; and R 4 represents hydrogen or halogen; provided that either R 1 or R 2 represents a phosphonoamino group.

  抗真菌剂具有优异的抗真菌作用物理化学性质，包括安全性和水溶性。化合物由式（I）表示，或其盐： 其中R1代表氢，卤素，氨基，R11—NH—其中R11代表C1-6烷基，羟基C1-6烷基，C1-6烷氧基C1-6烷基，或C1-6烷氧羰基C1-6烷基，R12—（CO）—NH—其中R12代表C1-6烷基或C1-6烷氧基C1-6烷基，C1-6烷基，羟基C1-6烷基，氰基C1-6烷基，C1-6烷氧基，或C1-6烷氧基C1-6烷基或磷酰氨基团；R2代表氢，C1-6烷基，氨基，或二C1-6烷基氨基团或磷酰氨基团；X和Y中的一个是氮，另一个是氮或氧；环A代表5-或6-成员杂芳基环或可能具有卤素原子或1或2个C1-6烷基基团的苯环；Z代表单键，亚甲基基团，乙烯基团，氧，硫，—CH2O—，—OCH2—，—NH—，—CH2NH—，—NHCH2—，—CH2S—，或—SCH2—；R3代表氢或卤素或C1-6烷基，C3-8环烷基，C6-10芳基，5-或6-成员杂芳基团或可能具有1或2个取代基的5-或6-成员非芳香杂环基；和R4代表氢或卤素；前提是R1或R2中的一个代表磷酰氨基团。
• Heterocyclic antiviral compounds
  申请人：Labadie Sharada Shenvi

  公开号：US20090208449A1

  公开（公告）日：2009-08-20

  Compounds having the formula I wherein R 1 , R 2 , R 3 , R 4 , R 5 and X are as defined herein are Hepatitis C virus NS5b polymerase inhibitors. Also disclosed are compositions and methods for treating an HCV infection and inhibiting HCV replication.

  具有公式I的化合物，其中R1、R2、R3、R4、R5和X的定义如本文所述，是丙型肝炎病毒NS5b聚合酶抑制剂。还公开了用于治疗HCV感染和抑制HCV复制的组合物和方法。
• SUBSTITUTED PYRIDYL AMIDE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR
  申请人：Keith John M.

  公开号：US20070281923A1

  公开（公告）日：2007-12-06

  Certain substituted pyridyl amide compounds are histamine H 3 receptor modulators useful in the treatment of histamine H 3 receptor-mediated diseases.

  某些替代吡啶酰胺化合物是组胺H3受体调节剂，可用于治疗组胺H3受体介导的疾病。