4,5-dimethyl-4H-1,2,4-triazole-3-carbaldehyde | 881845-20-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4,5-dimethyl-4H-1,2,4-triazole-3-carbaldehyde
• 英文别名: 4,5-dimethyl-1,2,4-triazole-3-carbaldehyde
• CAS: 881845-20-1
• 化学式: C₅H₇N₃O
• mdl: MFCD08600000
• 分子量: 125.13
• InChiKey: OWPMBXUUUBCOSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  47.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,5-dimethyl-4H-1,2,4-triazole-3-carbaldehyde 、 2,3-二氨基吡啶 在 sulfur 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 2-(4,5-Dimethyl-4H-[1,2,4]triazol-3-yl)-3H-imidazo[4,5-b]pyridine
  参考文献：
  名称：

  Parallel solution-phase synthesis of substituted 2-(1,2,4-triazol-3-yl)benzimidazoles

  摘要：

  A solution-phase synthesis for the preparation of substituted 2-(1,2,4-triazol-3-yl)benzimidazoles from triazole aldehydes and ortho-phenylenediamines has been developed for the purpose of producing diverse lead generation libraries. Crude products were obtained and further purified by mass-guided preparative HPLC. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2006.09.061
• 作为产物：
  描述：

  (4,5-dimethyl-4H-1,2,4-triazol-3-yl)methanol 在 manganese(IV) oxide 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以94%的产率得到4,5-dimethyl-4H-1,2,4-triazole-3-carbaldehyde
  参考文献：
  名称：

  A Convenient Synthesis of 4,5-Disubstituted 1,2,4-Triazoles Functionalized in Position 3

  摘要：

  以 3-巯基-1,2,4-三唑为起点，开发了一种简便的方法来制备 4,5-二取代的 3-羟甲基-1,2,4-三唑以及相应的 3-氯甲基和 3-甲醛衍生物，而 3-巯基-1,2,4-三唑又很容易从酰基肼和异硫氰酸盐中获得。

  DOI：

  10.1055/s-2005-921754

文献信息

• [EN] METHODS OF USING DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY (ADP-RIBOSE)POLYMERASE (PARP)<br/>[FR] MÉTHODES D'UTILISATION D'INHIBITEURS DIHYDROPYRIDOPHTHALAZINONIQUES DE LA POLY(ADP-RIBOSE) POLYMÉRASE (PARP)
  申请人：BIOMARIN PHARM INC

  公开号：WO2011130661A1

  公开（公告）日：2011-10-20

  Provided herein are methods of treating cancer comprising administering a topoisomerase inhibitor, temozolomide, or a platin in combination with a Compound of Formula (I) or Formula (II), where the substituents Y, Z, A, B, R1, R2, R3, R4 and R5 are as defined herein.

  本文提供了治疗癌症的方法，包括联合给药拓扑异构酶抑制剂、替莫唑胺或铂类药物与式（I）或式（II）化合物的方法，其中取代基Y、Z、A、B、R1、R2、R3、R4和R5如本文所定义。
• DIHYDROPYRIDOPHTHALAZINONE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP)
  申请人：Wang Bing

  公开号：US20100035883A1

  公开（公告）日：2010-02-11

  A compound having the structure set forth in Formula (I) and Formula (II): wherein the substituents Y, Z, A, B, R 1 , R 2 , R 3 , R 4 and R 5 are as defined herein. Provided herein are inhibitors of poly(ADP-ribose)polymerase activity. Also described herein are pharmaceutical compositions that include at least one compound described herein and the use of a compound or pharmaceutical composition described herein to treat diseases, disorders and conditions that are ameliorated by the inhibition of PARP activity.

  具有以下结构的化合物：其中取代基Y、Z、A、B、R1、R2、R3、R4和R5如本处所定义。本文提供了聚(ADP核糖)聚合酶活性的抑制剂。本文还描述了包括至少一种本文描述的化合物的药物组合物，以及使用本文描述的化合物或药物组合物治疗通过抑制PARP活性而改善的疾病、疾病和症状。
• Dihydropyridophthalazinone inhibitors of poly(ADP-ribose)polymerase (PARP)
  申请人：BioMarin Pharmaceutical Inc.

  公开号：US08012976B2

  公开（公告）日：2011-09-06

  A compound having the structure set forth in Formula (I) and Formula (II): wherein the substituents Y, Z, A, B, R1, R2, R3, R4 and R5 are as defined herein. Provided herein are inhibitors of poly(ADP-ribose)polymerase activity. Also described herein are pharmaceutical compositions that include at least one compound described herein and the use of a compound or pharmaceutical composition described herein to treat diseases, disorders and conditions that are ameliorated by the inhibition of PARP activity.

  具有以下结构式（I）和结构式（II）的化合物：其中，取代基Y、Z、A、B、R1、R2、R3、R4和R5的定义如本文所述。本文提供了一种poly（ADP-核糖）聚合酶活性抑制剂。本文还描述了包括至少一种上述化合物的制药组合物，并使用上述化合物或制药组合物来治疗通过抑制PARP活性改善的疾病、疾病和病况。