4-nitrophenyl-1,3-sultan | 90868-48-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-nitrophenyl-1,3-sultan
• 英文别名: 2-(4-nitrophenyl)-1,2-thiazolidine 1,1-dioxide；N-<4-Nitro-phenyl>-propan-sultam；2-(4-nitro-phenyl)-isothiazolidine 1,1-dioxide；2-(4-Nitrophenyl)isothiazolidine 1,1-dioxide
• CAS: 90868-48-7
• 化学式: C₉H₁₀N₂O₄S
• 分子量: 242.255
• InChiKey: FPTDCFYGXIACIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  91.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-nitrophenyl-1,3-sultan 在 palladium on activated charcoal 、 氢气 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 36.0h， 生成 N-(4-(1,1-dioxidoisothiazolidin-2-yl)phenyl)picolinamide
  参考文献：
  名称：

  Discovery, Synthesis, and Structure–Activity Relationship Development of a Series of N-4-(2,5-Dioxopyrrolidin-1-yl)phenylpicolinamides (VU0400195, ML182): Characterization of a Novel Positive Allosteric Modulator of the Metabotropic Glutamate Receptor 4 (mGlu₄) with Oral Efficacy in an Antiparkinsonian Animal Model

  摘要：

  There is an increasing amount of literature data showing the positive effects on preclinical antiparkinsonian rodent models with selective positive allosteric modulators of metabotropic glutamate receptor 4 (mGlu(4)). However, most of the data generated utilize compounds that have not been optimized for druglike properties, and as a consequence, they exhibit poor pharmacokinetic properties and thus do not cross the blood-brain barrier. Herein, we report on a series of N-4-(2,5-dioxopyrrolidin-1-yl)phenylpicolinamides with improved PK properties with excellent potency and selectivity as well as improved brain exposure in rodents. Finally, ML182 was shown to be orally active in the haloperidol induced catalepsy model, a well-established antiparkinsonian model.

  DOI：

  10.1021/jm200956q
• 作为产物：
  描述：

  2-(4-氨基苯基)异噻唑烷1,1-二氧化物 在 双氧水 、 三氟乙酸酐 作用下， 生成 4-nitrophenyl-1,3-sultan
  参考文献：
  名称：

  Syntheses and Facile Cleavage of Five-Membered Ring Sultams¹

  摘要：

  DOI：

  10.1021/jo01070a015

文献信息

• [EN] NOVEL IMIDAZO-PYRAZINE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS D'IMIDAZO-PYRAZINE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2021249893A1

  公开（公告）日：2021-12-16

  The invention provides novel imidazo-pyrazine derivatives having the general formula (I), and pharmaceutically acceptable salts thereof, wherein X, m, n, and R1 to R3 are as described herein: formula (I). Further provided are pharmaceutical compositions including the compounds, processes of manufacturing the compounds and methods of using the compounds as medicaments, in particular methods of using the compounds as antibiotics for the treatment or prevention of bacterial infections and resulting diseases.

  该发明提供了具有一般式(I)的新型咪唑吡嗪衍生物，以及其药用盐，其中X、m、n和R1至R3如本文所述：式(I)。此外还提供了包括该化合物的药物组合物、制造该化合物的方法以及将该化合物用作药物的方法，特别是将该化合物用作抗生素治疗或预防细菌感染及由此导致的疾病的方法。
• Derivatives of phenoxy-n-'4-(isothiazolindin-1,1-dioxid-2yl)phenyl!-valerian-acid amide and other compounds as inhibitors of the coagulation factor xa in the treatment of thromboembolic diseases and tumors
  申请人：——

  公开号：US20040254175A1

  公开（公告）日：2004-12-16

  Novel compounds of formula (I), wherein D, W, X, Y, T and R 1 have the meanings cited in claim 1 , are inhibitors of coagulation factor Xa and can be used for the prophylaxis and/or therapy of thromboembolic diseases and in the treatment of tumors. 1

  公式（I）的新化合物，其中D，W，X，Y，T和R1具有权利要求1中所述的含义，是凝血因子Xa的抑制剂，可用于预防和/或治疗血栓栓塞病和肿瘤治疗。
• Derivatives of phenoxy-n-′4-(isothiazolindin-1, 1-dioxid-2yl)phenyll-valerian-acid amide and other compounds as inhibitors of the coagulation factor xa in the treatment of thromboembolic diseases and tumors
  申请人：Merck Patent Gesellschaft

  公开号：US07199133B2

  公开（公告）日：2007-04-03

  Novel compounds of formula (I), wherein D, W, X, Y, T and R1 have the meanings cited in claim 1, are inhibitors of coagulation factor Xa and can be used for the prophylaxis and/or therapy of thromboembolic diseases and in the treatment of tumors

  公式（I）的新型化合物，其中D，W，X，Y，T和R1的含义如权利要求1所述，是凝血因子Xa的抑制剂，可用于预防和/或治疗血栓性疾病以及肿瘤的治疗。
• US7199133B2
  申请人：——

  公开号：US7199133B2

  公开（公告）日：2007-04-03
• [DE] DERIVATE DES PHENOXY-N-'4-(ISOTHIAZOLIDIN-1,1-DIOXID-2YL)PHENY!-VALERIAN-SÄUREAMIDS UND ANDERE VERBINDUNGEN ALS INHIBITOREN DES KOAGULATIONSFAKTORS XA ZUR BEHANDLUNG VON THROMBOEMBOLISCHEN ERKRANKUNGEN UND TUMOREN<br/>[EN] DERIVATIVES OF PHENOXY-N-'4-(ISOTHIAZOLIDIN-1,1-DIOXID-2YL)PHENY!-VALERIAN- ACID AMIDE AND OTHER COMPOUNDS AS INHIBITORS OF THE COAGULATION FACTOR XA IN THE TREATMENT OF THROMBOEMBOLIC DISEASES AND TUMORS<br/>[FR] DERIVES D'AMIDE D'ACIDE PHENOXY-N-'4-(ISOTHIAZOLIDINE-1,1-DIOXYDE-2-YL)-PHENYL-VALERIANIQUE ET AUTRE COMPOSES SERVANT D'INHIBITEURS DU FACTEUR DE COAGULATION XA POUR LE TRAITEMENT DE TROUBLES THROMBOEMBOLIQUES ET DE TUMEURS
  申请人：MERCK PATENT GMBH

  公开号：WO2003039543A1

  公开（公告）日：2003-05-15

  Neue Verbindungen der Formel (I), worin D, W, X, Y, T und R1 die in Patentanspruch 1 angegebene Bedeutung haben, sind Inhibitoren des Koagulationsfaktors Xa und können zur Prophylaxe und/oder Therapie von thromboembolischen Erkrankungen und zur Behandlung von Tumoren eingesetzt werden.