4-[[(1,1-二甲基乙氧基)羰基]氨基]-A-羰基-3-吡啶乙酸乙酯 | 191338-96-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 4-[[(1,1-二甲基乙氧基)羰基]氨基]-A-羰基-3-吡啶乙酸乙酯
• 英文名称: ethyl 2-(4-((tert-butoxycarbonyl)amino)pyridin-3-yl)-2-oxoacetate
• 英文别名: (4-tert-butoxycarbonylamino-pyridin-3-yl)-oxo-acetic acid ethyl ester；3-Pyridineacetic acid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-A-oxo-,ethyl ester；ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]-2-oxoacetate
• CAS: 191338-96-2
• 化学式: C₁₄H₁₈N₂O₅
• 分子量: 294.307
• InChiKey: IPOXVAWEQKYXBX-UHFFFAOYSA-N

物化性质

• 沸点：
  384.6±27.0 °C(Predicted)
• 密度：
  1.227±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  94.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-[[(1,1-二甲基乙氧基)羰基]氨基]-A-羰基-3-吡啶乙酸乙酯 反应 0.42h， 以68%的产率得到1H-吡咯并[3,2-c]吡啶-2,3-二酮(9ci)
  参考文献：
  名称：

  乙基（4 - N-酰基氨基吡啶-3-基）乙醛酸酯和5-氮杂s素作为合成多种新杂环的新合成子

  摘要：

  由在其3-位官能化的4- N-保护的氨基吡啶获得5-氮杂ai素和等效的合成子。通过使用Pfitzinger反应，这些化合物为制备新的和各种多杂环化合物提供了简便的途径。

  DOI：

  10.1002/jhet.5570340213
• 作为产物：
  描述：

  4-(叔丁氧羰基氨基)吡啶 、 草酸二乙酯 在 叔丁基锂 作用下， 以 四氢呋喃 为溶剂， 反应 3.5h， 以17%的产率得到4-[[(1,1-二甲基乙氧基)羰基]氨基]-A-羰基-3-吡啶乙酸乙酯
  参考文献：
  名称：

  [EN] Diphenyl-indol-2-on compounds and their use in thetreatment of cancer

  摘要：

  公开号：

  WO2005097107A3

文献信息

• Diphenyl Ox-Indol-2-One Compounds and Their Use in the Treatment of Cancer
  申请人：Felding Jakob

  公开号：US20070299102A1

  公开（公告）日：2007-12-27

  The present invention relates to substituted 3,3-diphenyl-1,3-dihydro-indol-2-one compounds, and the use of such compounds for the preparation of a medicament for the treatment of cancer in a mammal. It is postulated that treatment of cancers is achieved in which inhibition of protein synthesis and/or inhibition of activation of the mTOR pathway is an effective method for reducing cell growth. Examples of such cancers are breast cancer, renal cancer, multiple myeloma, leukemia, glia blastoma, rhabdomyosarcoma, prostate, soft tissue sarcoma, colorectal sarcoma, gastric carcinoma, head and neck squamous cell carcinoma, uterine, cervical, melanoma, lymphoma, and pancreatic cancer. A particular subclass of compounds are represented by the formula (II) wherein at least one of X 1 and X 2 is a heteroatom substituent, e.g. 6-chloro-3,3-bis-(4-hydroxy-phenyl)-7-methyl-1,3-dihydro-indol-2-one.

  本发明涉及取代的3,3-二苯基-1,3-二氢吲哚-2-酮化合物，以及使用这些化合物制备哺乳动物治疗癌症的药物。据推测，通过抑制蛋白质合成和/或抑制mTOR通路的激活来减少细胞生长是治疗癌症的有效方法。这些癌症的例子包括乳腺癌、肾癌、多发性骨髓瘤、白血病、胶质母细胞瘤、横纹肌肉瘤、前列腺癌、软组织肉瘤、结肠肉瘤、胃癌、头颈部鳞状细胞癌、子宫颈癌、黑色素瘤、淋巴瘤和胰腺癌。化合物的一个特定亚类由公式（II）表示，其中X1和X2中至少一个是杂原子取代基，例如6-氯-3,3-双（4-羟基苯基）-7-甲基-1,3-二氢吲哚-2-酮。
• Design and Synthesis of Fragment Derivatives with a Unique Inhibition Mechanism of the uPAR·uPA Interaction
  作者：Khuchtumur Bum-Erdene、Degang Liu、David Xu、Mona K. Ghozayel、Samy O. Meroueh

  DOI：10.1021/acsmedchemlett.0c00422

  日期：2021.1.14
• DIPHENYL-INDOL-2-ON COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER
  申请人：TopoTarget A/S

  公开号：EP1734951A2

  公开（公告）日：2006-12-27
• [EN] DIPHENYL OX-INDOL-2-ON COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER<br/>[FR] COMPOSES DE DIPHENYL OX-INDOL-2-ON ET LEUR UTILISATION DANS LE TRAITEMENT DU CANCER
  申请人：BIOIMAGE AS

  公开号：WO2005097107A2

  公开（公告）日：2005-10-20

  The present invention relates to substituted 3,3-diphenyl-1,3-dihydro-indol-2-one compounds, and the use of such compounds for the preparation of a medicament for the treatment of cancer in a mammal. It is postulated that the compounds inhibit protein synthesis and/or inhibit activation of the mTOR pathway ehich is an effective method for reducing cell growth and the treatment of cancer. Examples of such cancers are breast cancer, renal cancer, multiple myeloma, leucemia, glia blastoma, rhabdomyosarcoma, prostate, soft tissue sarcoma, colorectal sarcoma, gastric carcinoma, head and neck squamous cell carcinoma, uterine, cervical, melanoma, lymphoma, and pancreatic cancer. A particular subclass of compounds are represented by the formula (II) wherein at least one of X1 and X2 is a heteroatom substituent, e.g. 6-chloro-3,3-bis-(4-hydroxy-phenyl)-7-methyl-1,3-dihydro-indol-2-one.
• [EN] Diphenyl-indol-2-on compounds and their use in thetreatment of cancer
  申请人：BIOIMAGE AS

  公开号：WO2005097107A3

  公开（公告）日：2006-03-30