2-nitrobenzamidine | 88718-94-9

• 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-nitrobenzamidine
• 英文别名: 2-nitro-benzamidine；2-Nitro-benzamidin；2-nitrobenzenecarboximidamide
• CAS: 88718-94-9
• 化学式: C₇H₇N₃O₂
• 分子量: 165.151
• InChiKey: JBNVRLURWDLBOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  95.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-nitrobenzamidine 、 乙氧基甲叉丙二酸二乙酯 、 potassium carbonate 以20%的产率得到
  参考文献：
  名称：

  JUBY P. F.; HUDYMA T. W.; BROWN M.; ESSERY J. M.; PARTYKA R. A., J. MED. CHEM., 1979, 22, NO 3, 263-269

  摘要：

  DOI：
• 作为产物：
  描述：

  尿素 、 2-硝基苯甲腈 在 三氯化铝 作用下， 生成 2-nitrobenzamidine
  参考文献：
  名称：

  Oxley et al., Journal of the Chemical Society, 1947, p. 1110,1116

  摘要：

  DOI：

文献信息

• [EN] IMIDAZOLE DERIVATIVES FOR TREATMENT OF ALLERGIC AND HYPERPROLIFERATIVE DISORDERS<br/>[FR] DERIVES D'IMIDAZOLE DESTINES AU TRAITEMENT DE TROUBLES ALLERGIQUES ET HYPERPROLIFERATIFS
  申请人：AVANIR PHARMACEUTICALS

  公开号：WO2004091610A1

  公开（公告）日：2004-10-28

  The preferred embodiments are directed to small molecule inhibitors of the IgE response to allergens, which are useful in the treatment of allergy and/or asthma or any diseases where IgE is pathogenic. The preferred embodiments also relate to imidazole molecules that are cellular proliferation inhibitors and thus are useful as anticancer agents. The preferred embodiments further relate to small molecules which suppress cytokines and leukocytes.

  首选实施例涉及对过敏原的IgE反应的小分子抑制剂，这些抑制剂在过敏和/或哮喘或任何IgE具有致病性的疾病的治疗中是有用的。首选实施例还涉及咪唑分子，这些分子是细胞增殖抑制剂，因此可用作抗癌剂。首选实施例还涉及抑制细胞因子和白细胞的小分子。
• Compounds for the treatment of protozoal diseases
  申请人：——

  公开号：US20030119876A1

  公开（公告）日：2003-06-26

  The invention relates to new diphenylurea having the formula (I) 1 or a salt thereof, where Y is C═O, C═S, C═NH, (C═O) 2 or SO 2 ; and to processes for the preparation of these compounds and to their use in the treatment of protozoal diseases and to diseases where the inhibition of intracellular protein-degradation pathways is of benefit.

  这项发明涉及具有化学式(I)的新二苯基脲或其盐， 其中 Y为C═O、C═S、C═NH、(C═O) 2 或SO 2 ； 以及制备这些化合物的方法，以及它们在原生动物疾病治疗和抑制细胞内蛋白降解途径对益处的疾病中的用途。
• Novel pyrimidin-4-enamine as fungicide
  申请人：——

  公开号：US20030040521A1

  公开（公告）日：2003-02-27

  Novel pyrimidine derivatives of formula I 1 as well as possible isomers and mixtures of isomers thereof, wherein A is a 5- or 6-membered ring which may be saturated or unsaturated, aromatic or non-aromatic and which may contain no hetero atoms or 1-3 hetero atoms O, S and/or N, each in the free form or in salt form; R 1 , R 2 and R 3 are each independently of the other hydrogen; halogen; C 1 -C 8 alkyl, C 2 -C 8 alkenyl or C 2 -C 8 alkinyl which are unsubstituted or mono- to tri-substituted by C 3 -C 6 cycloalkyl, halogen, C 1 -C 6 alkoxy, C 1 -C 6 alkylthio or C 1 -C 6 haloalkoxy; O—C 1 -C 6 alkyl, O—C 2 -C 6 alkenyl, O—C 2 -C 6 alkynyl, S—C 1 -C 6 alkyl, S—C 2 -C 6 alkenyl or S—C 2 -C 6 alkynyl, which are unsubstituted or mono- to tri-substituted by C 3 -C 6 cycloalkyl, halogen, C 1 -C 6 alkoxy or C 1 -C 6 haloalkoxy; cyano; nitro; or trimethylsilyl; provided that R 1 , R 2 and R 3 are not hydrogen at the same time; R 4 is C 1 -C 8 alkyl, C 2 -C 8 alkenyl or C 2 -C 8 alkinyl which are unsubstituted or mono- to tri-substituted by C 3 -C 6 cycloalkyl, halogen, cyano, nitro, CO—C 1 -C 4 alkyl, COO—C 1 -C 4 alkyl, CO-aryl, COO-aryl, C 1 -C 6 alkoxy or C 1 -C 6 haloalkoxy; C 3 -C 6 cycloalkyl which is unsubstituted or mono- to tri-substituted by C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, halogen, cyano, C 1 -C 6 alkoxy or C 1 -C 6 haloalkoxy; phenyl or benzyl, in which the phenyl group is unsubstituted or mono- to pentasubstituted by halogen, cyano, nitro, C 1 -C 8 alkyl, C 2 -C 8 alkenyl, C 2 -C 8 alkinyl, C 1 -C 6 alkoxy, C 1 -C 6 haloalkoxy or C 1 -C 6 haloalkyl; NHR 7 ; SR 7 or OR 7 ; R 5 is C 1 -C 8 alkyl, C 2 -C 8 alkenyl or C 2 -C 8 alkinyl which are unsubstituted or mono- to tri-substituted by C 3 -C 6 cycloalkyl, halogen, cyano, nitro, CO—C 1 -C 4 alkyl, COO—C 1 -C 4 alkyl, CO-aryl, COO-aryl, C 1 -C 6 alkoxy, C 1 -C 6 alkylthio or C 1 -C 6 haloalkoxy; C 3 -C 6 cycloalkyl which is unsubstituted or mono- to tri-substituted by C 1 -C 6 alkyl, halogen, cyano, C 1 -C 6 alkoxy, C 1 -C 6 haloalkyl or C 1 -C 6 haloalkoxy; R 6 is hydrogen; C 1 -C 8 alkyl, C 2 -C 8 alkenyl or C 2 -C 8 alkinyl which are unsubstituted or mono- to tri-substituted by C 3 -C 6 cycloalkyl, halogen, cyano, nitro, CO—C 1 -C 4 alkyl, COO—C 1 -C 4 alkyl, CO-aryl, COO-aryl, C 1 -C 6 alkoxy, C 1 -C 6 alkylthio or C 1 -C 6 haloalkoxy; C 3 -C 6 cycloalkyl which is unsubstituted or mono- to tri-substituted by C 1 -C 6 alkyl, halogen, cyano, C 1 -C 6 alkoxy, C 1 -C 6 haloalkyl or C 1 -C 6 haloalkoxy; O—C 1 -C 6 alkyl, O—C 2 -C 6 alkenyl, O—C 2 -C 6 alkynyl, S—C 1 -C 6 alkyl, S—C 2 -C 6 alkenyl or S—C 2 -C 6 alkynyl, which are unsubstituted or mono- to tri-substituted by C 3 -C 6 cycloalkyl, cyano, halogen, C 1 -C 6 alkoxy or C 1 -C 6 haloalkoxy; aryl or heteroaryl which are unsubstituted or mono- to tri-substituted by halogen, cyano, nitro, C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, C 1 -C 6 alkoxy or C 1 -C 6 haloalkoxy; CO—C 1 -C 6 alkyl; CO—C 1 -C 6 alkyl-O—C 1 -C 6 alkyl; CO—C 1 -C 6 haloalkyl; CO-heteroaryl; SO 2 —C 1 -C 6 alkyl; SO 2 -aryl; CO-phenyl or CO—C 1 -C 6 alkyl-O-phenyl in which phenyl is unsubstituted or mono- to tri-substituted by halogen, cyano, nitro, C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, C 1 -C 6 alkoxy or C 1 -C 6 haloalkoxy; COOR 8 wherein R 8 is C 1 -C 8 alkyl, C 2 -C 8 alkenyl, C 2 -C 8 alkinyl, C 3 -C 4 cycloalkyl or phenyl which is unsubstituted or mono- to tri-substituted by halogen, cyano, nitro, C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, C 1 -C 6 alkoxy or C 1 -C 6 haloalkoxy; cyano; nitro; or halogen; and R 7 is C 1 -C 8 alkyl, C 2 -C 8 alkenyl or C 2 -C 8 alkinyl which are unsubstituted or mono- to tri-substituted by C 3 -C 6 cycloalkyl, halogen, cyano, nitro, CO—C 1 -C 4 alkyl, COO—C 1 -C 4 alkyl, CO-aryl, COO-aryl, C 1 -C 6 alkoxy, C 1 -C 6 alkylthio or C 1 -C 6 haloalkoxy; C 3 -C 6 cycloalkyl which is unsubstituted or mono- to tri-substituted by C 1 -C 6 alkyl, C 1 -C 6 haloalkyl, halogen, cyano, C 1 -C 6 alkoxy or C 1 -C 6 haloalkoxy; phenyl or benzyl, in which the phenyl group is unsubstituted or mono- to pentasubstituted by halogen, cyano, nitro, C 1 -C 8 alkyl, C 2 -C 8 alkenyl, C 2 -C 8 alkinyl, C 1 -C 6 alkoxy, C 1 -C 6 haloalkoxy or C 1 -C 6 haloalkyl. The novel compounds have plant-protective properties and are suitable for protecting plants against infestations by phytopathogenic microorganisms and insecticidal attack.

  该专利涉及一种新型嘧啶衍生物，其化学式为I1，其中A是一个5-或6-成员环，可以是饱和或不饱和的，芳香或非芳香的，可以不含杂原子或含有1-3个杂原子O，S和/或N，每个原子可以是自由形式或盐形式；R1，R2和R3各自独立地是氢，卤素，C1-C8烷基，C2-C8烯基或C2-C8炔基，可以是未取代或单-三取代的C3-C6环烷基，卤素，C1-C6烷氧基，C1-C6烷硫基或C1-C6卤代烷氧基；O-C1-C6烷基，O-C2-C6烯基，O-C2-C6炔基，S-C1-C6烷基，S-C2-C6烯基或S-C2-C6炔基，可以是未取代或单-三取代的C3-C6环烷基，卤素，C1-C6烷氧基或C1-C6卤代烷氧基；氰基；硝基；或三甲基硅基；但是R1，R2和R3不能同时是氢；R4是C1-C8烷基，C2-C8烯基或C2-C8炔基，可以是未取代或单-三取代的C3-C6环烷基，卤素，氰基，硝基，CO-C1-C4烷基，COO-C1-C4烷基，CO-芳基，COO-芳基，C1-C6烷氧基或C1-C6卤代烷氧基；未取代或单-三取代的C3-C6环烷基，可以是C1-C6烷基，C1-C6卤代烷基，卤素，氰基，C1-C6烷氧基或C1-C6卤代烷氧基；苯基或苄基，其中苯基可以是未取代或单-五取代的卤素，氰基，硝基，C1-C8烷基，C2-C8烯基，C2-C8炔基，C1-C6烷氧基，C1-C6卤代烷氧基或C1-C6卤代烷基；NHR7；SR7或OR7；R5是C1-C8烷基，C2-C8烯基或C2-C8炔基，可以是未取代或单-三取代的C3-C6环烷基，卤素，氰基，硝基，CO-C1-C4烷基，COO-C1-C4烷基，CO-芳基，COO-芳基，C1-C6烷氧基，C1-C6烷硫基或C1-C6卤代烷氧基；未取代或单-三取代的C3-C6环烷基，可以是C1-C6烷基，卤素，氰基，C1-C6烷氧基，C1-C6卤代烷基或C1-C6卤代烷氧基；R6是氢，C1-C8烷基，C2-C8烯基或C2-C8炔基，可以是未取代或单-三取代的C3-C6环烷基，卤素，氰基，硝基，CO-C1-C4烷基，COO-C1-C4烷基，CO-芳基，COO-芳基，C1-C6烷氧基，C1-C6烷硫基或C1-C6卤代烷氧基；未取代或单-三取代的C3-C6环烷基，可以是C1-C6烷基，卤素，氰基，C1-C6烷氧基，C1-C6卤代烷基或C1-C6卤代烷氧基；O-C1-C6烷基，O-C2-C6烯基，O-C2-C6炔基，S-C1-C6烷基，S-C2-C6烯基或S-C2-C6炔基，可以是未取代或单-三取代的C3-C6环烷基，氰基，卤素，C1-C6烷氧基或C1-C6卤代烷氧基；芳基或杂芳基，可以是未取代或单-三取代的卤素，氰基，硝基，C1-C6烷基，C1-C6卤代烷基，C1-C6烷氧基或C1-C6卤代烷氧基；CO-C1-C6烷基；CO-C1-C6烷基-O-C1-C6烷基；CO-C1-C6卤代烷基；CO-杂芳基；SO2-C1-C6烷基；SO2-芳基；CO-苯基或CO-C1-C6烷基-O-苯基，其中苯基可以是未取代或单-三取代的卤素，氰基，硝基，C1-C6烷基，C1-C6卤代烷基，C1-C6烷氧基或C1-C6卤代烷氧基；COOR8，其中R8是C1-C8烷基，C2-C8烯基，C2-C8炔基，C3-C4环烷基或苯基，可以是未取代或单-三取代的卤素，氰基，硝基，C1-C6烷基，C1-C6卤代烷基，C1-C6烷氧基或C1-C6卤代烷氧基；氰基；硝基；或卤素；R7是C1-C8烷基，C2-C8烯基或C2-C8炔基，可以是未取代或单-三取代的C3-C6环烷基，卤素，氰基，硝基，CO-C1-C4烷基，COO-C1-C4烷基，CO-芳基，COO-芳基，C1-C6烷氧基，C1-C6烷硫基或C1-C6卤代烷氧基；未取代或单-三取代的C3-C6环烷基，可以是C1-C6烷基，C1-C6卤代烷基，卤素，氰基，C1-C6烷氧基或C1-C6卤代烷氧基；苯基或苄基，其中苯基可以是未取代或单-五取代的卤素，氰基，硝基，C1-C8烷基，C2-C8烯基，C2-C8炔基，C1-C6烷氧基，C1-C6卤代烷氧基或C1-C6卤代烷基。这些新化合物具有植物保护性能，适用于保护植物免受植物病原微生物和杀虫攻击的侵害。
• Imidazole derivatives for treatment of allergic and hyperproliferative disorders
  申请人：——

  公开号：US20040229927A1

  公开（公告）日：2004-11-18

  The preferred embodiments are directed to small molecule inhibitors of the IgE response to allergens, which are useful in the treatment of allergy and/or asthma or any diseases where IgE is pathogenic. The preferred embodiments also relate to imidazole molecules that are cellular proliferation inhibitors and thus are useful as anticancer agents. The preferred embodiments further relate to small molecules which suppress cytokines and leukocytes.

  首选实施例是针对IgE对过敏原的反应的小分子抑制剂，这些抑制剂在过敏和/或哮喘或任何IgE为致病因素的疾病的治疗中有用。首选实施例还涉及咪唑分子，这些分子是细胞增殖抑制剂，因此可用作抗癌剂。首选实施例还涉及抑制细胞因子和白细胞的小分子。
• Polyethyleneglycol-modified lipid compounds and uses thereof
  申请人：Heyes James

  公开号：US20050175682A1

  公开（公告）日：2005-08-11

  The present invention provides compositions comprising polytheylyene-dialkyloxypropyl conjugates (PEG-DAA), liposomes, SNALP, and SPLP comprising such compositions, and methods of using such compositions, liposomes, SNALP, and SPLP.

  本发明提供了由聚乙二醇-双烷氧基丙基共轭物（PEG-DAA）、脂质体、SNALP和包含这些组分的SPLP组成的组合物，以及使用这些组合物、脂质体、SNALP和SPLP的方法。