3-甲基异噁唑-4-甲醛 | 1064458-79-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3-甲基异噁唑-4-甲醛
• 英文名称: 3-methyl-1,2-oxazole-4-carbaldehyde
• CAS: 1064458-79-2
• 化学式: C₅H₅NO₂
• mdl: MFCD10700235
• 分子量: 111.1
• InChiKey: GIZWEMLWGDLZLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  8
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  43.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  、 3-甲基异噁唑-4-甲醛 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  5'-氨基-2'，5'-二脱氧-2'，2'-二氟胞苷衍生物的合成作为新型抗癌核苷类似物

  摘要：

  为了鉴定抗癌核苷类似物，已经合成了新型的5'-氨基-2'，5'-二脱氧-2'，2'-二氟胞苷衍生物。设计并实施了几种合成路线，这些路线依靠S N 2置换或还原胺化来提供所需的衍生物。

  DOI：

  10.1016/j.tetlet.2013.11.018

文献信息

• [EN] TRIAZOLE PYRIDYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR<br/>[FR] COMPOSÉS DE TRIAZOLE PYRIDYLE EN TANT QU'AGONISTES DU RÉCEPTEUR APJ
  申请人：AMGEN INC

  公开号：WO2018093580A1

  公开（公告）日：2018-05-24

  Compounds of Formula I and Formula II, pharmaceutically acceptable salt thereof, stereoisomers of any of the foregoing, or mixtures thereof are agonists of the APJ Receptor and may have use in treating cardiovascular and other conditions. Compounds of Formula I and Formula II have the structures where the definitions of the variables are provided herein.

  化合物I和化合物II，其药用可接受盐，上述任何的立体异构体，或它们的混合物是APJ受体的激动剂，可能用于治疗心血管和其他疾病。化合物I和化合物II的结构如下，其中变量的定义在此处提供。
• Asymmetric 1,5-diarylpenta-1,4-dien-3-ones: Antiproliferative activity in prostate epithelial cell models and pharmacokinetic studies
  作者：Xiaojie Zhang、Shanchun Guo、Chengsheng Chen、German Ruiz Perez、Changde Zhang、Manee Patanapongpibul、Nithya Subrahmanyam、Rubing Wang、Joshua Keith、Guanglin Chen、Yan Dong、Qiang Zhang、Qiu Zhong、Shilong Zheng、Guangdi Wang、Qiao-Hong Chen

  DOI：10.1016/j.ejmech.2017.05.062

  日期：2017.9

  To further engineer dienones with optimal combinations of potency and bioavailability, thirty-four asymmetric 1,5-diarylpenta-1,4-dien-3-ones (25-58) have been designed and synthesized for the evaluation of their in vitro anti-proliferative activity in three human prostate cancer cell lines and one non-neoplastic prostate epithelial cell line. All these asymmetric dienones are sufficiently more potent than curcumin and their corresponding symmetric counterparts. The optimal dienone 58, with IC50 values in the range of 0.03-0.12 mu M, is 636-, 219-, and 454-fold more potent than curcumin in three prostate cancer cell models. Dienones 28 and 49 emerged as the most promising asymmetric dienones that warrant further preclinical studies. The two lead compounds demonstrated substantially improved potency in cell models and superior bioavailability in rats, while exhibiting no acute toxicity in the animals at the dose of 10 mg/kg. Dienones 28 and 46 can induce PC-3 cell cycle regulation at the G(0)/G(1) phase. However, dienone 28 induces PC-3 cell death in a different way from 46 even though they share the same scaffold, indicating that terminal heteroaromatic rings are critical to the action of mechanism for each specific dienone. (C) 2017 Elsevier Masson SAS. All rights reserved.
• Syntheses of 5′-amino-2′,5′-dideoxy-2′,2′-difluorocytidine derivatives as novel anticancer nucleoside analogs
  作者：Marc A. Labroli、Michael P. Dwyer、Ruichao Shen、Janeta Popovici-Muller、Qinglin Pu、Judson Richard、Kristen Rosner、Kamil Paruch、Timothy J. Guzi

  DOI：10.1016/j.tetlet.2013.11.018

  日期：2014.1

  A novel class of 5′-amino-2′,5′-dideoxy-2′,2′-difluorocytidine derivatives has been synthesized in order to identify anticancer nucleoside analogs. Several synthetic routes were devised and implemented which relied upon either SN2 displacement or reductive amination to provide the desired derivatives.

  为了鉴定抗癌核苷类似物，已经合成了新型的5'-氨基-2'，5'-二脱氧-2'，2'-二氟胞苷衍生物。设计并实施了几种合成路线，这些路线依靠S N 2置换或还原胺化来提供所需的衍生物。