甲基6-氨基-2-甲基-3-硝基苯甲酸酯 | 132734-42-0

• 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: 甲基6-氨基-2-甲基-3-硝基苯甲酸酯
• 英文名称: methyl 6-amino-2-methyl-3-nitrobenzoate
• 英文别名: 6-amino-2-methyl-3-nitro-benzoic acid methyl ester；methyl 2-methyl-3-nitro-6-aminobenzoate
• CAS: 132734-42-0
• 化学式: C₉H₁₀N₂O₄
• 分子量: 210.189
• InChiKey: FCHYFMJAPJAFPN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  98.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  甲基6-氨基-2-甲基-3-硝基苯甲酸酯 在 盐酸 、 CuCl2 、 二氧化硫 、 sodium nitrite 作用下， 以 ice-water 、 二氯甲烷 、 水 、 溶剂黄146 为溶剂， 生成 2-methoxycarbonyl-3-methyl-4-nitrobenzenesulfonyl chloride
  参考文献：
  名称：

  Saccharin derivatives

  摘要：

  公式I的糖精衍生物如下：其中取代基具有以下含义：L和M为氢、C.sub.1-C.sub.4-烷基、C.sub.1-C.sub.4-烷氧基、C.sub.1-C.sub.4-烷硫基、氯、氰基、甲基磺酰基、硝基或三氟甲基；Z为氢、C.sub.1-C.sub.4-烷基、C.sub.3-C.sub.8-环烷基、C.sub.3-C.sub.6-烯基、C.sub.3-C.sub.5-炔基、C.sub.1-C.sub.4-酰基、苄基或苯基，苯环在每种情况下均未取代或被卤素或C.sub.1-C.sub.4-烷基取代；Q为一个基团T-J，其中T为羰基CO或基团--CHY，J为公式II的4-连接异噁唑环，其中R.sup.1为氢或C.sub.1-C.sub.4-烷基，R.sup.2为C.sub.1-C.sub.4-烷基、环丙基、1-甲基环丙基或1-甲硫基环丙基；Y为一个羟基、一个氢氧基可能被C.sub.2-C.sub.4-酰基酰化或一个氯原子；以及化合物I的农业习惯盐的描述。

  公开号：

  US05716906A1
• 作为产物：
  描述：

  2-氨基-6-甲基苯甲酸 在 硫酸 、 sodium carbonate 、 potassium nitrate 作用下， 以 1,4-二氧六环 为溶剂， 反应 10.5h， 生成 甲基6-氨基-2-甲基-3-硝基苯甲酸酯
  参考文献：
  名称：

  NOVEL ALPK1 INHIBITORS

  摘要：

  The disclosure is directed to novel ALPK1 inhibitors having the Formula (I), or a pharmaceutical acceptable salt, a stereoisomer, a tautomer, a stable isotopic variant, a prodrug, or a crystal form thereof. The disclosure is also directed to pharmaceutical composition comprising the novel ALPK1 inhibitors, and use thereof in treating inflammation related diseases, such as ROSAH syndrome, inflammatory bowel disease (IBD), NASH, gout, diabetes, chronic kidney disease, pancreatitis, Kawasaki disease, inflammatory skin diseases and neurodegenerative diseases including the Alzheimer's disease.

  公开号：

  WO2024153225A1

文献信息

• [EN] DIAZEPINOINDOLE DERIVATIVES AS KINASE INHIBITORS<br/>[FR] DERIVES DE DIAZEPINOINDOLE EN TANT QU'INHIBITEURS DE KINASE
  申请人：PFIZER

  公开号：WO2004063198A1

  公开（公告）日：2004-07-29

  Protein kinase, such as CHK-1, inhibiting tricyclic compounds of the following formula (wherein R2, R3 and R4 are as defined in the specification) pharmaceutical compositions containing effective amounts of said compounds or their salts are useful as a single agent or in combination with an anti-neoplastic agent or therapeutic radiation having an anti-neoplastic effect for treating diseases or conditions, such as cancers.

  蛋白激酶，如CHK-1，抑制以下式的三环化合物（其中R2、R3和R4如规范中定义）的药物组合物，含有所述化合物或其盐的有效量，可用作单一药剂或与抗肿瘤药剂或具有抗肿瘤效果的治疗放射剂结合，用于治疗疾病或病况，如癌症。
• Preparation of saccharincarboxylic acids and -carboxylic acid esters
  申请人：BASF Aktiengesellschaft

  公开号：US05863864A1

  公开（公告）日：1999-01-26

  Saccharincarboxylic acids and -carboxylic acid esters of the formula I ##STR1## where the substituents have the following meanings: L and M are hydrogen, alkyl, alkoxy, alkylthio, chlorine, cyano, alkylsulfonyl, nitro or trifluoromethyl; Z is hydrogen, alkyl, cycloalkyl, alkyl, aryl or aralkyl; R is H or C.sub.1 -C.sub.6 -alkyl, are prepared by reacting corresponding bromo- or iodo-substituted saccharin derivatives of the formula II ##STR2## where L, M and Z have the abovementioned meanings, or if Z.noteq.H, compounds of the formula III ##STR3## in the presence of a palladium, nickel, cobalt or rhodium transition metal catalyst and of a base with carbon monoxide and water or a C.sub.1 -C.sub.6 -alcohol under elevated pressure.

  公式I中的糖精羧酸和羧酸酯的化学式为：##STR1## 其中，取代基的含义如下：L和M为氢、烷基、烷氧基、烷硫基、氯、氰、烷基磺酰基、硝基或三氟甲基；Z为氢、烷基、环烷基、芳基或芳基烷基；R为H或C.sub.1-C.sub.6烷基。该化合物可以通过在钯、镍、钴或铑过渡金属催化剂和碱的存在下，在高压下与一氧化碳和水或C.sub.1-C.sub.6醇反应，反应对应的溴或碘取代的糖精衍生物（公式II）##STR2## 其中L、M和Z具有上述含义，或者如果Z.noteq.H，则为公式III的化合物##STR3## 制备而成。
• 5-hydroxypyrazol-4-ylcarbonyl-substituted saccharin derivatives
  申请人：BASF Aktiengesellschaft

  公开号：US05723415A1

  公开（公告）日：1998-03-03

  5-Hydroxypyrazol-4-ylcarbonyl-substituted saccharin derivatives of the formula I ##STR1## where the substituents have the following meanings: L and M are hydrogen, C.sub.1 -C.sub.4 -alkyl, C.sub.1 -C.sub.4 -alkoxy, C.sub.1 -C.sub.4 -alkylthio, chlorine, cyano, methylsulfonyl, nitro or trifluoromethyl; Z is hydrogen, C.sub.1 -C.sub.4 -alkyl, C.sub.3 -C.sub.8 -cycloalkyl, C.sub.3 -C.sub.6 -alkenyl, C.sub.3 -C.sub.5 -alkynyl, C.sub.1 -C.sub.4 -acyl, benzyl or phenyl, the phenyl rings in each case being unsubstituted or substituted by halogen or C.sub.1 -C.sub.4 -alkyl; Q is a radical CO--J, J is a 4-linked 5-hydroxypyrazole ring of the formula II ##STR2## where R .sup.1 is C.sub.1 -C.sub.4 -alkyl and R .sup.2 is hydrogen or methyl, and agriculturally customary salts of the compounds I are described.

  化合物I的5-羟基吡唑-4-基甲酰基取代磺酰亚胺衍生物的式子如下：##STR1## 其中，取代基的含义如下：L和M为氢，C.sub.1-C.sub.4-烷基，C.sub.1-C.sub.4-烷氧基，C.sub.1-C.sub.4-烷硫基，氯，氰，甲基磺酰基，硝基或三氟甲基；Z为氢，C.sub.1-C.sub.4-烷基，C.sub.3-C.sub.8-环烷基，C.sub.3-C.sub.6-烯基，C.sub.3-C.sub.5-炔基，C.sub.1-C.sub.4-酰基，苄基或苯基，其中苯环在每种情况下未取代或被卤素或C.sub.1-C.sub.4-烷基取代；Q为CO-J基团，J为式子II的4-联5-羟基吡唑环：##STR2## 其中，R1为C.sub.1-C.sub.4-烷基，R2为氢或甲基，并描述了化合物I的农业习惯盐。
• Tricyclic compounds protein kinase inhibitors for enhancing the efficacy of anti-neoplastic agents and radiation therapy
  申请人：Benedict Suzanne

  公开号：US20050075499A1

  公开（公告）日：2005-04-07

  Protein kinase, such as CHK-1, inhibiting tricyclic compounds of the following formula (wherein R 2 , R 3 and R 4 are as defined in the specification) pharmaceutical compositions containing effective amounts of said compounds or their salts are useful as a single agent or in combination with an anti-neoplastic agent or therapeutic radiation having an anti-neoplastic effect for treating diseases or conditions such as cancers.

  蛋白激酶，例如CHK-1，抑制以下公式中的三环化合物（其中R2、R3和R4如规范中定义）的药物组合物，包含有效量的该化合物或其盐，可用作单一制剂或与具有抗肿瘤作用的抗肿瘤制剂或治疗性放射线结合，用于治疗癌症等疾病或病况。
• TRICYCLIC COMPOUNDS PROTEIN KINASE INHIBITORS FOR ENHANCING THE EFFICACY OF ANTI-NEOPLASTIC AGENTS AND RADIATION THERAPY
  申请人：Benedict Suzanne

  公开号：US20070135415A1

  公开（公告）日：2007-06-14

  Protein kinase, such as CHK-1, inhibiting tricyclic compounds of the following formula (wherein R 2 , R 3 and R 4 are as defined in the specification) pharmaceutical compositions containing effective amounts of said compounds or their salts are useful as a single agent or in combination with an anti-neoplastic agent or therapeutic radiation having an anti-neoplastic effect for treating diseases or conditions such as cancers. The current invention relates to the making and using of such compounds.

  蛋白激酶，例如CHK-1，抑制以下式子中三环化合物（其中R2，R3和R4如规范所定义）的制剂（或其盐）的有效量的制药组合物，可用作单一剂量或与抗肿瘤剂或具有抗肿瘤作用的治疗性放射线组合使用，用于治疗癌症等疾病或病情。本发明涉及制备和使用这种化合物。