isobutyl ((S)-(perfluorophenoxy)(phenoxy)phosphoryl)-L-alaninate | 1392015-41-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: isobutyl ((S)-(perfluorophenoxy)(phenoxy)phosphoryl)-L-alaninate
• 英文别名: 2-methylpropyl (2S)-2-[[(2,3,4,5,6-pentafluorophenoxy)-phenoxyphosphoryl]amino]propanoate
• CAS: 1392015-41-6
• 化学式: C₁₉H₁₉F₅NO₅P
• 分子量: 467.329
• InChiKey: XRAMSIUYJCQYHM-JTZKDVPQSA-N

物化性质

• 沸点：
  455.6±55.0 °C(Predicted)
• 密度：
  1.378±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  73.9
• 氢给体数：
  1
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  1-[(2R,3R,4S,5R)-3-cyano-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-l,2,3,4-tetrahydropyrimidine-2,4-dione 、 isobutyl ((S)-(perfluorophenoxy)(phenoxy)phosphoryl)-L-alaninate 在 叔丁基氯化镁 作用下， 以 四氢呋喃 为溶剂， 反应 18.25h， 生成
  参考文献：
  名称：

  2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES

  摘要：

  本发明涉及式(I)的2'-氰基取代核苷衍生物及其药学上可接受的盐，其中B、X、R1、R2和R3如本文所定义。本发明还涉及包含至少一种2'-氰基取代核苷衍生物的组合物，以及使用这些2'-氰基取代核苷衍生物治疗或预防患者HCV感染的方法。

  公开号：

  US20140161770A1
• 作为产物：
  描述：

  五氟苯酚 、 isobutyl (chloro(phenoxy)phosphoryl)-L-alaninate 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 、 isobutyl ((S)-(perfluorophenoxy)(phenoxy)phosphoryl)-L-alaninate
  参考文献：
  名称：

  2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES

  摘要：

  本发明涉及式(I)的2'-氰基取代核苷衍生物及其药学上可接受的盐，其中B、X、R1、R2和R3如本文所定义。本发明还涉及包含至少一种2'-氰基取代核苷衍生物的组合物，以及使用这些2'-氰基取代核苷衍生物治疗或预防患者HCV感染的方法。

  公开号：

  US20140161770A1

文献信息

• 一种含磷化合物的制备方法
  申请人：广东东阳光药业有限公司

  公开号：CN114380860A

  公开（公告）日：2022-04-22

  本发明涉及一种含磷化合物的制备方法，属于医药化工领域。本发明所述的制备方法，其通过将不同构型化合物的混合物在一定温度条件下减压蒸馏，得到粗品；然后粗品与有机溶剂混合搅拌，过滤，得到目标化合物。本发明提供的方法能够获得高纯度的产物，异构体杂质含量低，且收率较高，操作简便，安全，有利于环保，适于实施。
• 4'-THIO-NUCLEOTIDE AND -NUCLEOSIDE PRODRUGS FOR THE TREATMENT OF CANCER
  申请人：Southern Research Institute

  公开号：US20210363170A1

  公开（公告）日：2021-11-25

  The present disclosure is concerned with 4′-thio nucleotide and nucleoside compounds for the treatment of various cancers such as, for example, sarcomas, carcinomas, hematological cancers, solid tumors, breast cancer, cervical cancer, gastrointestinal cancer, colorectal cancer, brain cancer, skin cancer, prostate cancer, ovarian cancer, bladder cancer, thyroid cancer, testicular cancer, pancreatic cancer, endometrial cancer, melanomas, gliomas, leukemias, lymphomas, chronic myeloproliferative disorders, myelodysplastic syndromes, myeloproliferative neoplasms, and plasma cell neoplasms (myelomas). This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.
• [EN] 4'-THIO-NUCLEOTIDE AND -NUCLEOSIDE PRODRUGS FOR THE TREATMENT OF CANCER<br/>[FR] PROMÉDICAMENTS DE 4'-THIO-NUCLÉOTIDE ET DE NUCLÉOSIDE POUR LE TRAITEMENT DU CANCER
  申请人：SOUTHERN RES INST

  公开号：WO2019204637A1

  公开（公告）日：2019-10-24

  The present disclosure is concerned with 4'-thio nucleotide and nucleoside compounds for the treatment of various cancers such as, for example, sarcomas, carcinomas, hematological cancers, solid tumors, breast cancer, cervical cancer, gastrointestinal cancer, colorectal cancer, brain cancer, skin cancer, prostate cancer, ovarian cancer, bladder cancer, thyroid cancer, testicular cancer, pancreatic cancer, endometrial cancer, melanomas, gliomas, leukemias, lymphomas, chronic myeloproliferative disorders, myelodysplastic syndromes, myeloproliferative neoplasms, and plasma cell neoplasms (myelomas). This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.
• 2'-CYANO SUBSTITUTED NUCLEOSIDE DERIVATIVES AND METHODS OF USE THEREOF USEFUL FOR THE TREATMENT OF VIRAL DISEASES
  申请人：Girijavallabhan Vinay

  公开号：US20140161770A1

  公开（公告）日：2014-06-12

  The present invention relates to 2′-Cyano Substituted Nucleoside Derivatives of Formula (I): and pharmaceutically acceptable salts thereof, wherein B, X, R 1 , R 2 and R 3 are as defined herein. The present invention also relates to compositions comprising at least one 2′-Cyano Substituted Nucleoside Derivative, and methods of using the 2′-Cyano Substituted Nucleoside Derivatives for treating or preventing HCV infection in a patient.

  本发明涉及式(I)的2'-氰基取代核苷衍生物及其药学上可接受的盐，其中B、X、R1、R2和R3如本文所定义。本发明还涉及包含至少一种2'-氰基取代核苷衍生物的组合物，以及使用这些2'-氰基取代核苷衍生物治疗或预防患者HCV感染的方法。