4-甲基-2-硝基苯甲酰胺 | 65078-05-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-甲基-2-硝基苯甲酰胺
• 英文名称: 4-methyl-2-nitrobenzamide
• 英文别名: 4-methyl-2-nitro-benzoic acid amide；4-Methyl-2-nitro-benzoesaeure-amid；4-methyl-2-nitro-benzamide
• CAS: 65078-05-9
• 化学式: C₈H₈N₂O₃
• 分子量: 180.163
• InChiKey: VWKSRDFIGWFBMV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  88.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-甲基-2-硝基苯甲酰胺 在 铁粉 、 氯化铵 作用下， 以 乙醇 、 水 为溶剂， 反应 2.0h， 以1.2 g的产率得到2-氨基-4-甲基苯甲酰胺
  参考文献：
  名称：

  BICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS

  摘要：

  本公开涉及式(I)的化合物及其药学上可接受的盐，作为mPGES-1抑制剂。这些化合物是微粒体前列腺素E合成酶-1（mPGES-1）酶的抑制剂，因此在治疗各种疾病或症状引起的疼痛和/或炎症方面具有用途，如哮喘、骨关节炎、类风湿性关节炎、急性或慢性疼痛和神经退行性疾病。

  公开号：

  US20130210844A1
• 作为产物：
  描述：

  4-甲基-2-硝基苯腈 在 氢氧化钾 作用下， 生成 4-甲基-2-硝基苯甲酰胺
  参考文献：
  名称：

  v. Niementowski; Rozanski, Chemische Berichte, 1888, vol. 21, p. 1996

  摘要：

  DOI：

文献信息

• BICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS
  申请人：Glenmark Pharmaceuticals S.A.

  公开号：US20130210844A1

  公开（公告）日：2013-08-15

  The present disclosure is directed to compounds of formula (I), and pharmaceutically acceptable salts thereof, as mPGES-1 inhibitors. These compounds are inhibitors of the microsomal prostaglandin E synthase-1 (mPGES-1) enzyme and are therefore useful in the treatment of pain and/or inflammation from a variety of diseases or conditions, such as asthma, osteoarthritis, rheumatoid arthritis, acute or chronic pain and neurodegenerative diseases.

  本公开涉及式(I)的化合物及其药学上可接受的盐，作为mPGES-1抑制剂。这些化合物是微粒体前列腺素E合成酶-1（mPGES-1）酶的抑制剂，因此在治疗各种疾病或症状引起的疼痛和/或炎症方面具有用途，如哮喘、骨关节炎、类风湿性关节炎、急性或慢性疼痛和神经退行性疾病。
• Compounds Useful for Inhibiting Chk1
  申请人：Gaudino John Joseph

  公开号：US20080214573A1

  公开（公告）日：2008-09-04

  Substituted urea compounds useful in the treatment of diseases and C 1-3 alkyleneOR 3 conditions related to DNA damage or lesions in DNA replication are disclosed formula (I), wherein X 1 is null, —O—, —S—, —CH 2 —, or —N(R 1 )—; X 2 is —O—,. -£>.-, or —N(R 1 )—, -.. Y xs 0 or S; or =y represents two hydrogen atoms attached to a common carbon atom, —W is selected from the group consisting or heteroaryl, aryl, heterocycloalkyl, cycloalkyl, and C1-6 alkyl substituted with a heteroaryl, or aryl group; R 6 is —C≡C—R 7 or heteroaryl; R 8 , R 9 , and R 10 , independently, are selected from the group consisting of halo, optionally substituted C 1-6 alkyl, C 2-6 alkenyl, C 2-6 alkynyl, OCP 3 , CF 3 , NO 2 , CN, NC, N(R 3 ) 2 , OR 3 , CO 2 R 3 , C(O)N (R 3 ) 2 , C(O)R 3 , N(R 1 )COR 3 , N(R 1 )C(O)OR 3 , N(R 8 )C(O)OR 3 , N(R 1 )C(O)C 1-3 alkyleneC(O)R 3 , N(R 1 )C(O)C 1-3 alkyleneC(O)OR 3 , N(R 1 )C(O)C 1-3 alkyleneOR 3 , N(R 1 )C(O)C 1-3 alkyleneNHC(O)OR 3 , N(R 1 )C(O)C 1-3 alkyleneSO 2 , NR 3 , C 1-3 alkyleneOR 3 , and SR 3 ; Methods of making the compounds, and their use as therapeutic agents, for example, in treating cancer and other diseases characterized by defects in DNA replication, chromosome segregation, or cell division also are disclosed

  本文披露了一种在治疗与DNA损伤或DNA复制中的损伤有关的疾病和C1-3烷基OR3条件下有用的替代脲化合物，其化学式为(I)，其中X1为null、—O—、—S—、—CH2—或—N(R1)—；X2为—O—、—、或—N(R1)—；Y为0或S；或=y表示连接到共同碳原子上的两个氢原子；W选自由杂环、芳香族、杂环烷基、环烷基和C1-6烷基，其中取代为杂环或芳基基团；R6为—C≡C—R7或杂环；R8、R9和R10独立地选自卤素、可选取代的C1-6烷基、C2-6烯基、C2-6炔基、OCP3、CF3、NO2、CN、NC、N(R3)2、OR3、CO2R3、C(O)N(R3)2、C(O)R3、N(R1)COR3、N(R1)C(O)OR3、N(R8)C(O)OR3、N(R1)C(O)C1-3烷基C(O)R3、N(R1)C(O)C1-3烷基C(O)OR3、N(R1)C(O)C1-3烷基OR3、N(R1)C(O)C1-3烷基NHC(O)OR3、N(R1)C(O)C1-3烷基SO2、NR3、C1-3烷基OR3和SR3；还披露了制备该化合物的方法以及其作为治疗剂的用途，例如在治疗癌症和其他由DNA复制缺陷、染色体分离或细胞分裂引起的疾病中使用。
• Macrocylic Inhibitors of Hepatitis C Virus
  申请人：Simmen Kenneth Alan

  公开号：US20090105302A1

  公开（公告）日：2009-04-23

  Inhibitors of HCV replication of formula (I) and the N-oxides, salts, or stereoisomers thereof, wherein each dashed line (represented by - - - - -) represents an optional double bond; X is N, CH and where X bears a double bond it is C; R 1 is —OR 6 , —NH—SO 2 R 7 ; R 2 is hydrogen, and where X is C or CH, R 2 may also be C 1-6 alkyl; R 3 is hydrogen, C 1-6 alkyl, C 1-6 alkoxyC 1-6 alkyl, or C 3-7 cycloalkyl; n is 3, 4, 5, or 6; R 4 and R 5 independently from one another are hydrogen, halo, hydroxy, nitro, cyano, carboxyl, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 alkoxyC 1-6 alkyl, C 1-6 alkylcarbonyl, C 1-6 alkoxy-carbonyl, amino, azido, mercapto, C 1-6 alkylthio, polyhaloC 1-6 alkyl, aryl or Het; W is aryl or Het; R 6 is hydrogen; aryl; Het; C 3-7 cycloalkyl optionally substituted with C 1-6 alkyl; or C 1-6 alkyl optionally substituted with C 3-7 cycloalkyl, aryl or with Het; R 7 is aryl; Het; C 3-7 cycloalkyl optionally substituted with C 1-6 alkyl; or C 1-6 alkyl optionally substituted with C 3-7 cycloalkyl, aryl or with Het; aryl is phenyl or naphthyl, each optionally substituted with 1-3 substituents; Het is a 5 or 6 membered saturated, partially unsaturated or completely unsaturated heterocyclic ring containing 1-4 heteroatoms each independently selected from N, O or S, and optionally substituted with 1-3 substituents; pharmaceutical compositions containing compounds (I) and processes for preparing compounds (I). Bioavailable combinations of the inhibitors of HCV of formula (I) with ritonavir are also provided.

  HCV复制抑制剂的公式(I)及其N-氧化物、盐或立体异构体，其中每个虚线（由- - - - -表示）表示可选的双键；X为N、CH，其中X带有双键时为C；R1为—OR6、—NH—SO2R7；R2为氢，当X为C或CH时，R2也可以是C1-6烷基；R3为氢、C1-6烷基、C1-6烷氧基C1-6烷基或C3-7环烷基；n为3、4、5或6；R4和R5相互独立，为氢、卤素、羟基、硝基、氰基、羧基、C1-6烷基、C1-6烷氧基、C1-6烷氧基C1-6烷基、C1-6烷基羰基、C1-6烷氧羰基、氨基、偶氮基、巯基、C1-6烷基硫基、多卤素C1-6烷基、芳基或杂环基；W为芳基或杂环基；R6为氢、芳基、杂环基、C3-7环烷基，可选地被C1-6烷基取代；或C1-6烷基，可选地被C3-7环烷基、芳基或杂环基取代；R7为芳基、杂环基、C3-7环烷基，可选地被C1-6烷基取代；或C1-6烷基，可选地被C3-7环烷基、芳基或杂环基取代；芳基为苯基或萘基，每个可选地取代1-3个取代基；杂环基为含有1-4个杂原子的5或6元饱和、部分不饱和或完全不饱和的杂环，每个独立选择自N、O或S，并可选地取代1-3个取代基；包含化合物(I)的制药组合物和制备化合物(I)的方法。还提供了公式(I)的HCV抑制剂与利托那韦的生物利用度组合。
• HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE
  申请人：Borchardt Allen J.

  公开号：US20120065187A1

  公开（公告）日：2012-03-15

  The present invention relates to compounds and methods which may be useful as inhibitors of H 1 R and/or H 4 R for the treatment or prevention of inflammatory, autoimmune, allergic, and ocular diseases.

  本发明涉及化合物和方法，这些化合物和方法可用作H1R和/或H4R的抑制剂，用于治疗或预防炎症、自身免疫、过敏和眼部疾病。
• Bicyclic compounds as mPGES-1 inhibitors
  申请人：Glenmark Pharmaceuticals S.A.

  公开号：US09006257B2

  公开（公告）日：2015-04-14

  The present disclosure is directed to compounds of formula (I), and pharmaceutically acceptable salts thereof, as mPGES-1 inhibitors. These compounds are inhibitors of the microsomal prostaglandin E synthase-1 (mPGES-1) enzyme and are therefore useful in the treatment of pain and/or inflammation from a variety of diseases or conditions, such as asthma, osteoarthritis, rheumatoid arthritis, acute or chronic pain and neurodegenerative diseases.

  本公开涉及式（I）化合物及其药学上可接受的盐，作为mPGES-1抑制剂。这些化合物是微粒体前列腺素E合成酶-1（mPGES-1）酶的抑制剂，因此在治疗多种疾病或病况引起的疼痛和/或炎症方面非常有用，例如哮喘，骨关节炎，类风湿性关节炎，急性或慢性疼痛和神经退行性疾病。