(S)-3-(4-(2-(4-((S)-2-acetoxy-3-chloropropoxy)phenyl)propan-2-yl)phenoxy)propane-1,2-diyl diacetate | 1637573-04-6

• 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: (S)-3-(4-(2-(4-((S)-2-acetoxy-3-chloropropoxy)phenyl)propan-2-yl)phenoxy)propane-1,2-diyl diacetate
• 英文别名: ralaniten acetate；EPI-506；Ralaniten Acetate；[(2S)-2-acetyloxy-3-[4-[2-[4-[(2S)-2-acetyloxy-3-chloropropoxy]phenyl]propan-2-yl]phenoxy]propyl] acetate
• CAS: 1637573-04-6
• 化学式: C₂₇H₃₃ClO₈
• 分子量: 521.007
• InChiKey: HGHVYYKTOXUQNT-CLJLJLNGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  36
• 可旋转键数：
  16
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  97.4
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (R)-3-(4-(2-(4-((S)-3-氯-2-羟基丙氧基)苯基)丙-2-基)苯氧基)丙烷-1,2-二醇 以94的产率得到(S)-3-(4-(2-(4-((S)-2-acetoxy-3-chloropropoxy)phenyl)propan-2-yl)phenoxy)propane-1,2-diyl diacetate
  参考文献：
  名称：

  ESTER DERIVATIVES OF ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE

  摘要：

  提供具有结构I的化合物或其药学上可接受的盐、互变异构体或立体异构体，其中R1、R2、R3、R4、R5、J1、J2、X、Z、n1和n2如本文所定义，并且其中至少有一个R1、R2或R3是烷基、烯基、芳基或芳基烷基酯。还提供了这些化合物用于治疗各种症状，包括前列腺癌的用途，以及涉及这些化合物的治疗方法。

  公开号：

  US20140335080A1

文献信息

• BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS
  申请人：THE UNIVERSITY OF BRITISH COLUMBIA

  公开号：US20170298033A1

  公开（公告）日：2017-10-19

  Compounds having a structure of Formula I: or a pharmaceutically acceptable salt, tautomer or stereoisomer thereof, wherein R 1 , R 2 , R 3 , R 11a , R 11b , R 11c , R 11d , and X, are as defined herein, are provided. Uses of such compounds for modulating androgen receptor activity, imaging diagnostics in cancer and therapeutics, and methods for treatment of subjects in need thereof, including prostate cancer are also provided.

  具有以下化学结构的化合物：或其药用盐、互变异构体或立体异构体，其中R1、R2、R3、R11a、R11b、R11c、R11d和X的定义如本文所述。提供了这些化合物用于调节雄激素受体活性、在癌症中进行成像诊断和治疗以及治疗需要的受试者的方法，包括前列腺癌。
• [EN] COMPOUNDS AND COMPOSITIONS FOR RADIATION THERAPY AND METHODS OF USING THE SAME<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR RADIOTHÉRAPIE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：BRITISH COLUMBIA CANCER AGENCY BRANCH

  公开号：WO2017210771A1

  公开（公告）日：2017-12-14

  The present disclosure relates to bisphenol ether derivatives and compositions thereof, which can be useful in radiation therapy for treatment of diseases, such as prostate cancer. In particular, the compounds of the present disclosure containing a radiolabeled atom can be useful in targeted delivery of radionuclides for treatment of lesions, tumors, and/or cancer cells.

  本公开涉及双酚醚衍生物及其组合物，可用于放射治疗，治疗疾病，如前列腺癌。具体而言，本公开的化合物含有放射标记原子，可用于靶向递送放射性核素，用于治疗病变、肿瘤和/或癌细胞。
• Ester derivatives of androgen receptor modulators and methods for their use
  申请人：The University of British Columbia

  公开号：US09173939B2

  公开（公告）日：2015-11-03

  Compounds having a structure of Structure I: or a pharmaceutically acceptable salt, tautomer, or stereoisomer thereof, wherein R1, R2, R3, R4, R5, J1, J2, X, Z, n1 and n2 are as defined herein, and wherein at least one of R1, R2 or R3 is an alkyl, alkenyl, aryl or aralkyl ester, are provided. Uses of such compounds for treatment of various indications, including prostate cancer, as well as methods of treatment involving such compounds are also provided.

  提供了结构I的化合物或其药物可接受的盐、互变异构体或立体异构体，其中R1、R2、R3、R4、R5、J1、J2、X、Z、n1和n2的定义如本文所述，并且其中至少有一个R1、R2或R3是烷基、烯基、芳基或芳基烷基酯。提供了这种化合物用于治疗各种适应症，包括前列腺癌，以及涉及这种化合物的治疗方法。
• Bisphenol derivatives and their use as androgen receptor activity modulators
  申请人：The University of British Columbia

  公开号：US11142508B2

  公开（公告）日：2021-10-12

  Compounds having a structure of Formula I or a pharmaceutically acceptable salt, tautomer or stereoisomer thereof, wherein R1, R2, R3, R11a, R11b, R11c, R11d, and X, are as defined herein, are provided. Uses of such compounds for modulating androgen receptor activity, imaging diagnostics in cancer and therapeutics, and methods for treatment of subjects in need thereof, including prostate cancer are also provided.

  具有式 I 结构的化合物 或其药学上可接受的盐、同系物或立体异构体，其中 R1、R2、R3、R11a、R11b、R11c、R11d 和 X 如本文所定义。还提供了此类化合物在调节雄激素受体活性、癌症成像诊断和治疗中的用途，以及治疗有需要的受试者（包括前列腺癌）的方法。
• CO-TARGETING ANDROGEN RECEPTOR SPLICE VARIANTS AND MTOR SIGNALING PATHWAY FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER
  申请人：British Columbia Cancer Agency Branch

  公开号：US20170056336A1

  公开（公告）日：2017-03-02

  The present invention provides methods, compositions, and combinations for treating cancer via combined use of a compound of formula (I), and/or their subgenra, or a pharmaceutically acceptable salt, tautomer or stereoisomer thereof, wherein R 1 , R 2 , R 3 , R 8 , R 9 , R 11a , R 11b , R 11c , and R 11d are as defined herein, and at least one therapeutically active agents selected from inhibitors of PI3K/AKT/mTOR pathway, active agents associated with the treatment of prostate cancer, and anticancer agents.