1-isopropyl-1H-imidazole-5-carbaldehyde

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-isopropyl-1H-imidazole-5-carbaldehyde
• 英文别名: 3-propan-2-ylimidazole-4-carbaldehyde
• 化学式: C₇H₁₀N₂O
• 分子量: 138.169
• InChiKey: VGIWEUWQSDSUIF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-isopropyl-1H-imidazole-5-carbaldehyde 在 乙醇 、 三氯化铁 、 铂 作用下， 生成 (1-异丙基-1H-咪唑-5-基)甲醇
  参考文献：
  名称：

  Studies on Imidazoles. III. 1-Substituted Analogs of Histidine and Histamine

  摘要：

  DOI：

  10.1021/ja01175a062
• 作为产物：
  描述：

  N-benzenesulfonyl-N'-(3-isopropyl-3H-imidazole-4-carbonyl)-hydrazine 在 sodium carbonate 、 甘油 作用下， 生成 1-isopropyl-1H-imidazole-5-carbaldehyde
  参考文献：
  名称：

  Studies on Imidazoles. III. 1-Substituted Analogs of Histidine and Histamine

  摘要：

  DOI：

  10.1021/ja01175a062

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。
• IMIDAZOLE DERIVATIVES AND MEDICINAL COMPOSITION THEREOF
  申请人：YAMANOUCHI PHARMACEUTICAL CO., LTD.

  公开号：EP0820989A1

  公开（公告）日：1998-01-28

  An imidazole derivative represented by the following general formula (I), a salt thereof, a hydrate thereof or a solvate thereof. (Symbols in the formula have the following meanings. A: a lower alkylene group unsubstituted or substituted with a hydroxyl group, an aryl group, a lower alkylidene group or an oxo group (=O), X: a methylene group or a group represented by a formula -NR2-, R1: a hydrogen atom, a lower alkyl group or an aralkyl group, R2: a hydrogen atom or a lower alkyl group). The compounds have a steroid 17-20 lyase inhibiting activity and is useful in treating and preventing diseases such as prostate cancer, benign prostatic hyperplasia, breast cancer, mastopathy, hysteromyoma, endometriosis and the like.

  以下为一种咪唑衍生物及其盐、水合物或溶剂化物，其化学式如下（I）（式中符号的含义如下：A：未取代或取代羟基、芳基、低烷基亚甲基或氧代基（=O）的低烷基亚甲基；X：亚甲基或由式-NR2-表示的基团；R1：氢原子、低烷基或芳基烷基；R2：氢原子或低烷基）。该化合物具有类固醇17-20裂解酶抑制活性，可用于治疗和预防前列腺癌、良性前列腺增生、乳腺癌、乳腺病、子宫肌瘤、子宫内膜异位症等疾病。
• 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。
• N‐Alkylimidazol‐5‐yl‐substituted Nitronyl Nitroxides and Their Mononuclear Cu(II) Complexes: Synthesis, Structure and Magnetic Properties
  作者：Irina V. Golomolzina、Svyatoslav E. Tolstikov、Kristina A. Smirnova、Sergey V. Fokin、Gleb A. Letyagin、Galina V. Romanenko、Artem S. Bogomyakov

  DOI：10.1002/chem.202303499

  日期：2024.3

  This work reports a selective method for the synthesis of N-alkylimidazol-5-yl-substituted nitronyl nitroxides in high yields. And also, a new family of molecular heterospin complexes was obtained by the reaction of new nitroxides and Cu(hfac)2.

  这项工作报道了一种高产率合成 N-烷基咪唑-5-基取代硝基硝基氧的选择性方法。并且，通过新的硝基氧与Cu(hfac) 2的反应，获得了一类新的分子异自旋配合物。