4-(2-氟-4-硝基苯基)哌嗪-1-羧酸叔丁酯 | 154590-34-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 4-(2-氟-4-硝基苯基)哌嗪-1-羧酸叔丁酯
• 英文名称: 4-(2-fluoro-4-nitrophenyl)-piperazine-1-carboxylic acid tert butyl ester
• 英文别名: tert-butyl 4-(2-fluoro-4-nitrophenyl)piperazine-1-carboxylate
• CAS: 154590-34-8
• 化学式: C₁₅H₂₀FN₃O₄
• mdl: MFCD08443959
• 分子量: 325.34
• InChiKey: YOLVWCABLVHASL-UHFFFAOYSA-N

物化性质

• 熔点：
  153-155 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  453.5±45.0 °C(Predicted)
• 密度：
  1.270±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.533
• 拓扑面积：
  78.6
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  4-(2-氟-4-硝基苯基)哌嗪-1-羧酸叔丁酯 在 吡啶 、 palladium 10% on activated carbon 、 氢气 、 三乙胺 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 、 乙酸乙酯 为溶剂， 20.0 ℃ 、689.49 kPa 条件下， 反应 21.67h， 生成 (E)-ethyl 4-{2-fluoro-4-[3-(4-nitrophenyl)acrylamido]phenyl}piperazine-1-carboxylate
  参考文献：
  名称：

  Design, synthesis and antitubercular evaluation of novel series of N-[4-(piperazin-1-yl)phenyl]cinnamamide derivatives

  摘要：

  The analogs of N-[4-(piperazin-1-yl)phenyl]cinnamamide were designed and synthesized by molecular hybridization approach in which part C of the designed molecule was linked through amide and carbamate functionality that improves the physicochemical properties and govern the pharmacokinetic and pharmacodynamic behavior. The systematic modification was done around the Part C to explore the structure activity relationship of antitubercular cinnamamide. All 52 compounds were evaluated for its antitubercular activity against Mycobacterium tuberculosis (M. tb) using Resazurin microtitre plate assay (REMA). Compound 11g with trifluoromethyl substitution exhibited good antitubercular activity of 3.125 mu g/ml. The synthesized N[4-(piperazin-1-yl)phenyl]cinnamamide derivatives showed promising activity against M. tb. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.01.024
• 作为产物：
  描述：

  3,4-二氟硝基苯 以 二氯甲烷 、 乙腈 为溶剂， 反应 5.0h， 生成 4-(2-氟-4-硝基苯基)哌嗪-1-羧酸叔丁酯
  参考文献：
  名称：

  含哌嗪腙结构的噁唑烷酮类化合物

  摘要：

  本发明公开一种含哌嗪腙结构的噁唑烷酮类化合物，包括含通式(Ⅰ)的化合物、或其立体异构体、或其药学上可接受的盐、或其溶剂化物、或其前药；其中，R1为氢、氟、氯或三氟甲基；R2为‑NHCOCH3或‑OH；R3为Ar、Ar为任意1‑3个R4取代的C5‑C10芳基及杂芳基；R4为氢，羟基，卤素，硝基，氨基，氰基，C1‑C6烷基，C1‑C6烷氧基，任选被羟基、氨基或卤代的C1‑C6烷基，任选被羟基、氨基或卤代的C1‑C6烷氧基，被单或二(C1‑C6烷基)取代的氨基，C1‑C6烷基酰胺基，游离的、成盐的、酯化的和酰胺化的羧基，C1‑C6烷基亚磺酰基，C1‑C6烷基磺酰基，C1‑C6烷基酰基，氨基甲酰基。该化合物可用于制备治疗微生物感染的药物。

  公开号：

  CN107033095B

文献信息

• SUBSTITUTED PYRIDOPYRAZINES AS NOVEL SYK INHIBITORS
  申请人：Su Wei-Guo

  公开号：US20140121200A1

  公开（公告）日：2014-05-01

  Provided are pyridopyrazine compounds of formula (1), pharmaceutical compositions thereof and methods of use therefore, wherein R 1 , R 2 , R 3 , R 4 and m are as defined in the specification.

  提供了式（1）的吡啶吡嗪化合物，以及其药物组合物和使用方法，其中R1、R2、R3、R4和m如规范中所定义。
• Oxazolidinone antimicrobials containing substituted diazine moieties
  申请人：The Upjohn Company

  公开号：US05547950A1

  公开（公告）日：1996-08-20

  A compound of structural Formula I: ##STR1## or pharmaceutically acceptable salts thereof wherein: each n is independently 1 to 3; Y is chosen from a-n as defined herein; wherein each occurrence of said C.sub.1-6 alkyl may be substituted with one or more F, Cl, Br, I, OR.sup.1, CO.sub.2 R.sup.1, CN, SR.sup.1, or R.sup.1 (where R.sup.1 is a hydrogen or C.sub.1-4 alkyl); X and Z are independently C.sub.1-6 alkyl, C.sub.3-12 cycloalkyl or hydrogen, or X and Z form a C.sub.0-3 bridging group, preferably X and Z are hydrogen; U, V and W are independently C.sub.1-6 alkyl, F, Cl, Br, hydrogen or a C.sub.1-6 alkyl substituted with one or more of F, Cl, Br or I, preferably U and V are F and W is hydrogen; R is hydrogen, C.sub.1-12 alkyl, C.sub.3-12 cycloalkyl, C.sub.1-6 alkoxy, C.sub.1-6 alkyl substituted with one or more F, Cl, Br, I or OH; and q is 0 to 4 inclusive. Oxazolidinone derivatives possessing a substituted diazine moiety bonded to the N-aryl ring are useful antimicrobial agents, effective against a number of human and veterinary pathogens, including multiply-resistant staphylococci and streptococci, as well as anaerobic organisms such as bacteroides and clostridia species, and acid-fast organisms such as Mycobacterium tuberculosis and Mycobacterium avium.

  结构式I的化合物：##STR1##或其药用可接受的盐，其中：每个n独立地为1到3；Y从a-n中选择，如此处所定义；其中所述的每个C.sub.1-6烷基的每次出现可以用一个或多个F、Cl、Br、I、OR.sup.1、CO.sub.2R.sup.1、CN、SR.sup.1或R.sup.1（其中R.sup.1是氢或C.sub.1-4烷基）替代；X和Z独立地为C.sub.1-6烷基、C.sub.3-12环烷基或氢，或X和Z形成一个C.sub.0-3桥联基，优选X和Z为氢；U、V和W独立地为C.sub.1-6烷基、F、Cl、Br、氢或一个或多个F、Cl、Br或I取代的C.sub.1-6烷基，优选U和V为F，W为氢；R为氢、C.sub.1-12烷基、C.sub.3-12环烷基、C.sub.1-6烷氧基、一个或多个F、Cl、Br、I或OH取代的C.sub.1-6烷基；q为0到4（包括4）。具有与N-芳基环结合的取代二嗪基团的噁唑烷酮衍生物是有用的抗微生物药剂，对许多人类和兽医病原体有效，包括多重耐药葡萄球菌和链球菌，以及厌氧生物，如拟杆菌和梭菌属，以及耐酸生物，如结核分枝杆菌和分枝杆菌。
• 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists
  申请人：Schering Corporation

  公开号：US20040220194A1

  公开（公告）日：2004-11-04

  Compounds having the structural formula I 1 or a pharmaceutically acceptable salt thereof, wherein R is 2 R 1 , R 2 , R 3 , R 4 and R 5 are H, alkyl or alkoxyalkyl; R 6 is H, alkyl, hydroxyalkyl or —CH 2 F; R 7 , R 8 and R 9 are H, alkyl, alkoxy, alkylthio, alkoxyalkyl, halo or —CF 3 ; and Z is optionally substituted aryl, heteroaryl or heteroaryl-alkyl are disclosed. Also disclosed is the use of compounds of formula I in the treatment of central nervous system diseases, in particular Parkinson's disease, alone or in combination with other agents for treating Parkinson's disease, and pharmaceutical compositions comprising them.

  具有结构式I或其药用可接受盐的化合物，其中R是R1，R2，R3，R4和R5为H，烷基或烷氧基烷基；R6为H，烷基，羟基烷基或—CH2F；R7，R8和R9为H，烷基，烷氧基，烷硫基，烷氧基烷基，卤素或—CF3；以及Z是可选择地取代的芳基，杂环芳基或杂环芳基烷基。还公开了化合物I的应用于治疗中枢神经系统疾病，特别是帕金森病，单独或与其他治疗帕金森病的药剂联合使用，以及包含它们的药物组合物。
• NOVEL 2,6-SUBSTITUTED-3-NITROPYRIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME
  申请人：Ryu Jei Man

  公开号：US20110306606A1

  公开（公告）日：2011-12-15

  The present invention relates to a novel 2,6-substituted-3-nitropyridine derivative compound, a method for preparing the same, and a pharmaceutical composition including the same for prevention and treatment of osteoporosis. The 2,6-substituted-3-nitropyridine derivative compound of the present invention increases osteoblast activity and effectively inhibits the differentiation of osteoclasts, and thus can be usefully used for the prevention and treatment of osteoporosis.

  本发明涉及一种新型的2,6-取代-3-硝基吡啶衍生物化合物，一种制备该化合物的方法，以及包括该化合物的用于预防和治疗骨质疏松症的药物组合物。本发明的2,6-取代-3-硝基吡啶衍生物化合物增加成骨细胞活性并有效抑制破骨细胞的分化，因此可用于预防和治疗骨质疏松症。
• [EN] PYRROLO[3,2-C]PYRIDINE DERIVATIVES AS TLR INHIBITORS<br/>[FR] DÉRIVÉS DE PYRROLO[3,2-C]PYRIDINE COMME INHIBITEURS DE TLR
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2015088045A1

  公开（公告）日：2015-06-18

  The present invention provides a heterocyclic compound having a TLR7, TLR9, TLR7/8, TLR7/9 or TLR7/8/9 inhibitory action, which is useful as an agent for the prophylaxis or treatment of autoimmune diseases, inflammatory diseases and the like, in particular, systemic lupus erythematosus, Sjogren's syndrome, rheumatoid arthritis, psoriasis, inflammatory bowel disease and the like. The present invention is a compound represented by the formula (1): wherein each symbol is as described in the specification, or a salt thereof.

  本发明提供了一种具有TLR7、TLR9、TLR7/8、TLR7/9或TLR7/8/9抑制作用的杂环化合物，该化合物可用作自身免疫性疾病、炎症性疾病等的预防或治疗剂，特别是系统性红斑狼疮、干燥综合征、类风湿关节炎、牛皮癣、炎症性肠病等。本发明是由式（1）表示的化合物：其中每个符号如说明书中所述，或其盐。