2,3-dinitro-benzonitrile | 90325-27-2

• 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: 2,3-dinitro-benzonitrile
• 英文别名: 2,3-Dinitro-benzonitril；Dinitrobenzonitril；2,3-dinitrobenzonitrile
• CAS: 90325-27-2
• 化学式: C₇H₃N₃O₄
• 分子量: 193.119
• InChiKey: WWQOAUZBUYMRDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2,3-dinitro-benzonitrile 在 lead 、 乙醇 、 草酸亚铁 作用下， 生成 吩嗪-1-腈
  参考文献：
  名称：

  PHENAZINE SYNTHESES. IV.¹ NITRILES

  摘要：

  DOI：

  10.1021/jo01124a013
• 作为产物：
  描述：

  氰化钾 、 alkaline earth salt of/the/ methylsulfuric acid 在 nickel(II) sulphate 作用下， 生成 2,3-dinitro-benzonitrile
  参考文献：
  名称：

  Screening cervical lesions with Fourier transform infrared spectroscopy

  摘要：

  The screening results were reported based on the Fourier transform infrared spectroscopy (FTIR) analysis of the samples of exfoliated cervical cells from 354 women, Their spectra can be sorted into two types based on the emerging or not of the absorption bands near 970 cm(-1) and 1 170 cm(-1): T1 (83.1%) type without emerging, and T2 (16.9%) type with obviously emerging. All of the samples assigned to T1 were cytologically diagnosed as normal or within normal limits (Pap I). 28.9% and 71.1% of samples exhibiting T2 profile, were cytologically evaluated as Pap I and abnormal respectively. 3 women in the abnormal group were diagnosed as to have cervical cells with changes associated with high grade of inflammation, cervical scar and cervical erosion. Furthermore, based on the progressive change of the relative intensities of the absorption bands, both T1 and T2 profiles can be categorized into 6 subtypes, The observed heterogeneous spectra and the progressive changes in the absorption frequencies and the relative intensities exhibit features suggestive of the progressive process of cervical lesion. The FTIR method has the potential to complement the cytological smear for large-volume screening of cervical lesions.

  DOI：

  10.1007/bf03187170

文献信息

• Pyrrolidine(thi)ones Substituted by Heterocyclic Substituents in The 3-Position
  申请人：FRORMANN Sven

  公开号：US20080293749A1

  公开（公告）日：2008-11-27

  Pyrrolidine(thi)one compounds substituted by heterocyclic substituents in the 3-position, their preparation and use in pharmaceutical compositions, in particular as immunomodulators for treatment and/or inhibition of inflammatory and autoimmune diseases and haematological-oncological diseases.

  吡咯烷(硫)酮化合物在3位被杂环取代基取代，它们的制备和在制药组合物中的用途，特别是作为免疫调节剂用于治疗和/或抑制炎症性和自身免疫疾病以及血液肿瘤性疾病。
• METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER
  申请人：TACHDJIAN Catherine

  公开号：US20120041078A1

  公开（公告）日：2012-02-16

  The present invention includes methods of stabilizing one or more sweet enhancers when they are exposed to a light source as well as liquid compositions containing one or more sweet enhancers and one or more photostabilizers.

  本发明包括在甜味增强剂暴露于光源时稳定一个或多个甜味增强剂的方法，以及包含一个或多个甜味增强剂和一个或多个光稳定剂的液体组合物。
• [EN] 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE DERIVATIVES AND THE RESPECTIVE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXIDE AND 1,4-DIHYDRO-BENZO(D) (1,3)OXAZIN-2-ONE DERIVATIVES AS MODULATORS OF THE 5-HYDROXYTRYPTAMINE RECEPTOR (5-HT) FOR THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM<br/>[FR] DERIVES DE 1-BENZYL-5-PIPERAZIN-1-YL-3,4 DIHYDRO-1H-QUINAZOLIN-2-ONE ET DERIVES DE 1H-BENZO(1,2,6)THIADIAZINE-2,2-DIOXYDE ET DE 1,4-DIHYDRO-BENZO(D) (1,3)OXAZIN-2-ONE RESPECTIFS, UTILISES COMME MODULATEURS DU RECEPTEUR DE LA 5-HYDROXYTRYPTAMINE (5-HT) POUR LE TRAITEMENT D'AFFECTIONS DU SYSTEME NERVEUX CENTRAL
  申请人：HOFFMANN LA ROCHE

  公开号：WO2005067933A1

  公开（公告）日：2005-07-28

  The invention relates to substituted quinazolinone compunds of formula (I) or a pharmaceutically acceptable salt thereof, wherein Y is C or S; m is 1 when Y is C and m is 2 when Y is S; n is 1 or 2; p is from 0 to 3; q is from 1 to 3; Z is -(CRaRb)r- or -SO2-, wherein r is from 0 to 2 and each of Ra and Rb is independently hydrogen or alkyl; X is CH or N; R2 is optionally substituted aryl or optionally substituted heteroaryl; preferably R2 is aryl, and more preferably phenyl optionally substituted by one or more trifluoromethyl, halo, cyano, C1-C6 alkyl or C1-C6 alkoxy; A is -NR3- or -O- wherein R3 is: hydrogen; alkyl, acyl, amidoalkyl, hydroxyalkyl or alkoxyalkyl; the other substituents are defined in the claims. The compounds are modulators of the 5-hydroxytryptamine receptor and are useful for the treatment of diseases of the central nervous system such as psychoses, schizophrenia, manic depressions, neurological disorders, memory disorders, attention deficit disorder, Parkinson’s disease, amyotrophic lateral sclerosis, Alzheimer’s disease, food uptake disorders, and Huntington’s disease.

  该发明涉及式(I)的取代喹唑啉酮化合物或其药学上可接受的盐，其中Y为C或S；当Y为C时，m为1，当Y为S时，m为2；n为1或2；p为0到3；q为1到3；Z为-(CRaRb)r-或-SO2-，其中r为0到2，Ra和Rb各自独立地为氢或烷基；X为CH或N；R2为可选择地取代的芳基或可选择地取代的杂环烷基；优选R2为芳基，更优选为苯基，可选地取代为一个或多个三氟甲基，卤素，氰基，C1-C6烷基或C1-C6烷氧基；A为-NR3-或-O-，其中R3为：氢；烷基，酰基，酰胺烷基，羟基烷基或烷氧基烷基；其他取代基在权利要求中定义。这些化合物是5-羟色胺受体的调节剂，可用于治疗中枢神经系统疾病，如精神病、精神分裂症、躁郁症、神经系统疾病、记忆障碍、注意力缺陷障碍、帕金森病、肌萎缩侧索硬化症、阿尔茨海默病、摄食障碍和亨廷顿病。
• [EN] BENZAMIDES FOR NEURODEGENERATIVE DISORDER TREATMENT<br/>[FR] BENZAMIDES DESTINES AU TRAITEMENT DE TROUBLES NEURO-DEGENERATIFS
  申请人：CENTAUR PHARMACEUTICALS, INC.

  公开号：WO1996031462A1

  公开（公告）日：1996-10-10

  (EN) Disclosed are pharmaceutical compositions containing as active ingredient a compound of formula (I) wherein R' is a saturated alkyl of 3 to 5 carbon atoms, each R is independently -NO2 or -NH2 or -NHCOCH3, and n is 1 or 2. Some of these compounds are new. A process for their preparation is also disclosed, as well as their use in the manufacture of medicaments for treating conditions characterised by progressive loss of central nervous system such as Parkinson's disease or Alzheimer's.(FR) Des compositions pharmaceutiques contiennent en guise d'ingrédient actif un composé de formule (I) où R' représente au alkyle saturé doté de 3 à 5 atomes de carbone, R représente indépendemment -NO2, -NH2 ou -NHCOCH3, et n vaut 1 ou 2. Certains de ces composés sont nouveaux. On décrit aussi un procédé permettant de les préparer, ainsi que leur utilisation dans la fabrication de médicaments destinés à traiter des troubles caractérisés par une perte progressive des fonctions du système nerveux central, tels que les maladies de Parkinson ou d'Alzheimer.

  （中文）本发明涉及一种药物组合物，其活性成分为式（I）中的化合物，其中R'是3到5个碳原子的饱和烷基，每个R独立地是-NO2、-NH2或-NHCOCH3，n为1或2。其中一些化合物是新的。本发明还公开了一种制备它们的方法，以及它们在制造用于治疗中枢神经系统逐渐丧失的疾病，如帕金森病或阿尔茨海默病的药物中的应用。
• [EN] BENZAMIDE TREATMENT OF DEMENTIA ASSOCIATED WITH AIDS VIRUS (HIV-1) INFECTION<br/>[FR] TRAITEMENT PAR BENZAMIDES DE LA DEMENCE ASSOCIEE A L'INFECTION PAR LE VIRUS DU SIDA (VIH-1)
  申请人：CENTAUR PHARMACEUTICALS, INC.

  公开号：WO1997038684A1

  公开（公告）日：1997-10-23

  (EN) Benzamide-based compositions are disclosed to have activity as therapeutic and prophylactic agents in the treatment of conditions associated with HIV-1 virus infection, referred to in advanced stages as dementia associated with HIV infection or HIV Dementia.(FR) L'invention concerne des compositions à base de benzamides ayant une activité en tant qu'agents thérapeutiques et prophylactiques dans le traitement des pathologies associées à l'infection par le VIH-1, désignées dans les stades avancés par le terme de démence associée à l'infection par le VIH-1 ou d'encéphalopathie du VIH.

  (中文) 揭示了基于苯甲酰胺的组合物具有治疗和预防HIV-1病毒感染相关病症的活性，这些病症在晚期被称为与HIV感染相关的痴呆或HIV痴呆。