3-(5-methyl-4H-1,2,4-triazol-3-yl)phenylamine | 915924-22-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(5-methyl-4H-1,2,4-triazol-3-yl)phenylamine
• 英文别名: 3-(5-methyl-4H-1,2,4-triazol-3-yl)aniline；3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
• CAS: 915924-22-0
• 化学式: C₉H₁₀N₄
• mdl: MFCD08059833
• 分子量: 174.205
• InChiKey: ZULNBCXKBBLYRY-UHFFFAOYSA-N

物化性质

• 沸点：
  452.7±47.0 °C(Predicted)
• 密度：
  1.261±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  67.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(5-methyl-4H-1,2,4-triazol-3-yl)phenylamine 、 2-(3-chloroquinoxalin-2-yl)propanedinitrile 以 乙醇 、 甲苯 为溶剂， 以44%的产率得到2-amino-1-(3-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carbonitrile
  参考文献：
  名称：

  2-Amino-1-phenyl-pyrrolo[3,2-b]quinoxaline-3-carboxamide derivates

  摘要：

  该发明涉及一种具有一般式(1)的化合物，其中R1n的n为0、1、2、3或4，特别是R1n的n为0或1，每个R1独立于其他R1，为C1-C3烷基、C1-C3卤代烷基或C1-C3烷氧基，DA为给体-受体基团。该发明还涉及一种化合物或药物制剂，用于治疗癌症或眼内新生血管综合征的方法。

  公开号：

  EP2924039A1
• 作为产物：
  描述：

  间硝基苯腈 在 sodium 、 一水合肼 作用下， 以 甲醇 、 异丙醇 为溶剂， 反应 16.0h， 生成 3-(5-methyl-4H-1,2,4-triazol-3-yl)phenylamine
  参考文献：
  名称：

  含氨基的3,5-二取代的1,2,4-三唑的合成

  摘要：

  通过将亚氨基酯与羧酸酰肼缩合制备的N ′-（1-亚氨基烷基）酰肼进行热环化，已经合成了含有直链和环状胺片段的3，5-二取代的1,2,4-三唑。通过Pinner反应以及在催化量的甲醇钠存在下腈与甲醇的反应已合成了起始的亚氨基酯。已经开发出一种合成5-取代的3-（3-硝基苯基）-1，2，4-三唑的方法，这些化合物通过在阮内镍上用水合肼还原而转化为3-氨基苯基衍生物。

  DOI：

  10.1134/s1070428016100195

文献信息

• [EN] COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR<br/>[FR] COMPOSÉS ET MÉTHODES UTILISÉS POUR LA MODULATION DES KINASES ET INDICATIONS À CET EFFET
  申请人：PLEXXIKON INC

  公开号：WO2011063159A1

  公开（公告）日：2011-05-26

  Compounds and salts thereof, formulations thereof, conjugates thereof, derivatives thereof, forms thereof and uses thereof are described. In certain aspects and embodiments, the described compounds or salts thereof, formulations thereof, conjugates thereof, derivatives thereof, forms thereof are active on at least one Raf protein kinase. In certain aspects and embodiments, the described compounds are active in inhibiting proliferation of a Ras mutant cell line. Also described are methods of use thereof to treat diseases and conditions, including diseases and conditions associated with activity of B-Raf V600E mutant protein kinase, including melanoma, glioma, glioblastoma multiforme, pilocytic astrocytoma, colorectal cancer, thyroid cancer, lung cancer, ovarian cancer, prostate cancer, liver cancer, gallbladder cancer, gastrointestinal stromal tumors, biliary tract cancer, and cholangiocarcinoma. Also described are methods of use thereof to treat diseases and conditions, including diseases and conditions associated with activity of c-Raf-1 protein kinase, including acute pain, chronic pain or polycystic kidney disease.

  描述了化合物及其盐、配方、共轭物、衍生物、形式和用途。在某些方面和实施例中，所述化合物或其盐、配方、共轭物、衍生物、形式对至少一种Raf蛋白激酶具有活性。在某些方面和实施例中，所述化合物在抑制Ras突变细胞系增殖方面具有活性。还描述了使用这些方法来治疗疾病和病况，包括与B-Raf V600E突变蛋白激酶活性相关的疾病和病况，包括黑色素瘤、胶质瘤、胶质母细胞瘤、乳头状星形细胞瘤、结直肠癌、甲状腺癌、肺癌、卵巢癌、前列腺癌、肝癌、胆囊癌、胃肠间质瘤、胆道癌和胆管癌。还描述了使用这些方法来治疗与c-Raf-1蛋白激酶活性相关的疾病和病况，包括急性疼痛、慢性疼痛或多囊肾病。
• [EN] SULFONAMIDES AS ZAP-70 INHIBITORS<br/>[FR] SULFONAMIDES EN TANT QU'INHIBITEURS DE ZAP-70
  申请人：CELLZOME LTD

  公开号：WO2009112490A1

  公开（公告）日：2009-09-17

  The invention relates to compounds of formula (I), wherein R1 to R9 and R4a have the meaning as cited in the description and the claims. Said compounds are useful as inhibitors of ZAP-70 for the treatment or prophylaxis of immunological, inflammatory, autoimmune, allergic disorders, and immuno logically- mediated diseases. The invention also relates to pharmaceutical compositions including said compounds, the preparation of such compounds as well as the use as medicaments.

  本发明涉及公式（I）的化合物，其中R1至R9和R4a的含义如描述和权利要求中所述。所述化合物可用作ZAP-70的抑制剂，用于治疗或预防免疫、炎症、自身免疫、过敏性疾病和免疫学介导的疾病。本发明还涉及包括所述化合物的制药组合物，以及作为药物的使用和制备这种化合物。
• Compounds and Methods for Kinase Modulation, and Indications Therefor
  申请人：Ibrahim Prabha N.

  公开号：US20110152258A1

  公开（公告）日：2011-06-23

  Compounds and salts thereof, formulations thereof, conjugates thereof, derivatives thereof, forms thereof and uses thereof are described. In certain aspects and embodiments, the described compounds or salts thereof, formulations thereof, conjugates thereof, derivatives thereof, forms thereof are active on at least one Raf protein kinase. In certain aspects and embodiments, the described compounds are active in inhibiting proliferation of a Ras mutant cell line. Also described are methods of use thereof to treat diseases and conditions, including diseases and conditions associated with activity of B-Raf V600E mutant protein kinase, including melanoma, glioma, glioblastoma multiforme, pilocytic astrocytoma, colorectal cancer, thyroid cancer, lung cancer, ovarian cancer, prostate cancer, liver cancer, gallbladder cancer, gastrointestinal stromal tumors, biliary tract cancer, and cholangiocarcinoma. Also described are methods of use thereof to treat diseases and conditions, including diseases and conditions associated with activity of c-Raf-1 protein kinase, including acute pain, chronic pain or polycystic kidney disease.

  本文描述了化合物及其盐、制剂、共轭物、衍生物、形式和用途。在某些方面和实施例中，所述的化合物或其盐、制剂、共轭物、衍生物、形式对至少一种Raf蛋白激酶具有活性。在某些方面和实施例中，所述的化合物对抑制Ras突变细胞系的增殖具有活性。还描述了使用这些化合物的方法来治疗与B-Raf V600E突变蛋白激酶活性相关的疾病和病症，包括黑色素瘤、胶质瘤、多形性胶质母细胞瘤、毛细胞星形胶质瘤、结肠直肠癌、甲状腺癌、肺癌、卵巢癌、前列腺癌、肝癌、胆囊癌、胃肠间质瘤、胆道癌和胆管癌。还描述了使用这些化合物的方法来治疗与c-Raf-1蛋白激酶活性相关的疾病和病症，包括急性疼痛、慢性疼痛或多囊肾病。
• SULFONAMIDES AS ZAP-70 INHIBITORS
  申请人：Major Jeremy

  公开号：US20110098288A1

  公开（公告）日：2011-04-28

  The invention relates to compounds of formula (I) wherein R 1 to R 9 and R 4a have the meaning as cited in the description and the claims. Said compounds are useful as inhibitors of ZAP-70 for the treatment or prophylaxis of immunological, inflammatory, autoimmune, allergic disorders, and immunologically-mediated diseases. The invention also relates to pharmaceutical compositions including said compounds, the preparation of such compounds as well as the use as medicaments.

  本发明涉及式(I)的化合物，其中R1至R9和R4a的含义如所述和权利要求所述。所述化合物可用作ZAP-70的抑制剂，用于治疗或预防免疫、炎症、自身免疫、过敏性疾病和免疫介导疾病。本发明还涉及包括所述化合物的制药组合物，制备该化合物以及作为药物的用途。
• COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR
  申请人：Plexxikon Inc.

  公开号：US20140288070A1

  公开（公告）日：2014-09-25

  Compounds and salts thereof, formulations thereof, conjugates thereof, derivatives thereof, forms thereof and uses thereof are described. In certain aspects and embodiments, the described compounds or salts thereof, formulations thereof, conjugates thereof, derivatives thereof, forms thereof are active on at least one Raf protein kinase. In certain aspects and embodiments, the described compounds are active in inhibiting proliferation of a Ras mutant cell line. Also described are methods of use thereof to treat diseases and conditions, including diseases and conditions associated with activity of B-Raf V600E mutant protein kinase, including melanoma, glioma, glioblastoma multiforme, pilocytic astrocytoma, colorectal cancer, thyroid cancer, lung cancer, ovarian cancer, prostate cancer, liver cancer, gallbladder cancer, gastrointestinal stromal tumors, biliary tract cancer, and cholangiocarcinoma. Also described are methods of use thereof to treat diseases and conditions, including diseases and conditions associated with activity of c-Raf-1 protein kinase, including acute pain, chronic pain or polycystic kidney disease.

  本文描述了化合物及其盐、制剂、共轭物、衍生物、形式和用途。在某些方面和实施例中，所述的化合物或其盐、制剂、共轭物、衍生物、形式至少对一种Raf蛋白激酶具有活性。在某些方面和实施例中，所述的化合物具有抑制Ras突变细胞系增殖的活性。还描述了使用它们治疗疾病和病症的方法，包括与B-Raf V600E突变蛋白激酶活性相关的疾病和病症，包括黑色素瘤、胶质瘤、多形性胶质母细胞瘤、毛细胞星形细胞瘤、结直肠癌、甲状腺癌、肺癌、卵巢癌、前列腺癌、肝癌、胆囊癌、胃肠道间质瘤、胆道癌和胆管癌。还描述了使用它们治疗与c-Raf-1蛋白激酶活性相关的疾病和病症的方法，包括急性疼痛、慢性疼痛或多囊肾病。