3-ureidophenyl acetylene | 1017034-89-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-ureidophenyl acetylene
• 英文别名: (3-Ethynylphenyl)urea
• CAS: 1017034-89-7
• 化学式: C₉H₈N₂O
• mdl: MFCD09938578
• 分子量: 160.175
• InChiKey: JXYKVQKWRHFXCJ-UHFFFAOYSA-N

物化性质

• 沸点：
  282.7±23.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-ureidophenyl acetylene 在 copper(l) iodide 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 [3-[3-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]-7-methyl-2-oxopyrrolo[2,3-d]pyrimidin-6-yl]phenyl]urea
  参考文献：
  名称：

  CG base pair recognition within DNA triple helices by modified N-methylpyrrolo-dC nucleosides

  摘要：

  合成了双环核苷 N-甲基-3H-吡咯并[2,3-d]嘧啶-2(7H)-酮的 3-氨基苯基修饰类似物，并将其直接加入三聚体形成的寡核苷酸中，以利用其扩展的氢键结构识别 CG 碱基对。在 pH 值为 6.2 到 7.0 的范围内，所有类似物都表现出很强的结合亲和力和对 CG 的很好的选择性；与以前的修饰相比有了明显的改进。

  DOI：

  10.1039/c0ob00119h
• 作为产物：
  描述：

  氨基甲酸苯酯 、 3-氨基苯乙炔 反应 12.0h， 以69%的产率得到3-ureidophenyl acetylene
  参考文献：
  名称：

  CG base pair recognition within DNA triple helices by modified N-methylpyrrolo-dC nucleosides

  摘要：

  合成了双环核苷 N-甲基-3H-吡咯并[2,3-d]嘧啶-2(7H)-酮的 3-氨基苯基修饰类似物，并将其直接加入三聚体形成的寡核苷酸中，以利用其扩展的氢键结构识别 CG 碱基对。在 pH 值为 6.2 到 7.0 的范围内，所有类似物都表现出很强的结合亲和力和对 CG 的很好的选择性；与以前的修饰相比有了明显的改进。

  DOI：

  10.1039/c0ob00119h

文献信息

• FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF
  申请人：Pharmakea, Inc.

  公开号：EP3795568A1

  公开（公告）日：2021-03-24

  Described herein are compounds that are LOXL2 inhibitors, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds in the treatment of conditions, diseases, or disorders associated with LOXL2 activity.

  本文描述了作为 LOXL2 抑制剂的化合物、制造此类化合物的方法、包含此类化合物的药物组合物和药物，以及使用此类化合物治疗与 LOXL2 活性相关的病症、疾病或失调的方法。
• Trifunctional constructs with tunable pharmacokinetics useful in imaging and anti-tumor therapies
  申请人：Cornell University

  公开号：US10806806B2

  公开（公告）日：2020-10-20

  The present technology provides compounds, as well as compositions including such compounds, useful for imaging and/or treatment of a glioma, a breast cancer, an adrenal cortical cancer, a cervical carcinoma, a vulvar carcinoma, an endometrial carcinoma, a primary ovarian carcinoma, a metastatic ovarian carcinoma, a non-small cell lung cancer, a small cell lung cancer, a bladder cancer, a colon cancer, a primary, gastric adenocarcinoma, a primary colorectal adenocarcinoma, a renal cell carcinoma, and/or a prostate cancer.

  本技术提供了可用于胶质瘤、乳腺癌、肾上腺皮质癌、宫颈癌、外阴癌、子宫内膜癌、原发性卵巢癌、转移性卵巢癌、非小细胞肺癌、小细胞肺癌、膀胱癌、结肠癌、原发性胃腺癌的成像和/或治疗的化合物以及包括此类化合物的组合物、 原发性卵巢癌、转移性卵巢癌、非小细胞肺癌、小细胞肺癌、膀胱癌、结肠癌、原发性胃腺癌、原发性结直肠腺癌、肾细胞癌和/或前列腺癌。
• Cg Base Pair Recognition Within Dna Triple Helices Using<b><i>N</i></b>-Methyl-3<b><i>H</i></b>-Pyrrolo[2,3-<b><i>d</i></b>]Pyrimidin-2(7<b><i>H</i></b>)-One Nucleoside Analogues
  作者：Simon R. Gerrard、Natarajan Srinivasan、Keith R. Fox、Tom Brown

  DOI：10.1080/15257770701533958

  日期：2007.11.26

  Triplex-mediated recognition of Py.Pu base pairs in DNA is a greater challenge than for Pu.Py base pairs as fewer hydrogen bonds are presented for binding in the major groove. Initial studies on m-aminophenyl-modified analogues of the bicyclic nucleoside N-methyl-3H-pyrrolo[2,3-d]pyrimidin-2(7H)-one suggest that selective recognition of the CG base pair is possible.
• TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES
  申请人：Cornell University

  公开号：EP3609541A1

  公开（公告）日：2020-02-19
• TRIFUNCTIONAL CONSTRUCTS WITH TUNABLEPHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES
  申请人：CORNELL UNIVERSITY

  公开号：US20210128757A1

  公开（公告）日：2021-05-06

  The present technology provides compounds, as well as compositions including such compounds, useful for imaging and/or treatment of a glioma, a breast cancer, an adrenal cortical cancer, a cervical carcinoma, a vulvar carcinoma, an endometrial carcinoma, a primary ovarian carcinoma, a metastatic ovarian carcinoma, a non-small cell lung cancer, a small cell lung cancer, a bladder cancer, a colon cancer, a primary, gastric adenocarcinoma, a primary colorectal adenocarcinoma, a renal cell carcinoma, and/or a prostate cancer. The compounds are represented by the following formula: (I) or a pharmaceutically acceptable salt thereof.