(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(1R)-2-[(1S,3R,4R)-4-(3-hydroxypropoxy)-3-methoxycyclohexyl]-1-methylethyl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0^4,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone | 159351-72-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯内酰胺
• 英文名称: (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(1R)-2-[(1S,3R,4R)-4-(3-hydroxypropoxy)-3-methoxycyclohexyl]-1-methylethyl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0^4,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
• 英文别名: (35E,37E,39E,40E,47R,48S,49R,50R,52S,54S,56S,57S,58R,59R,68R)-57-[(1R)-2-[(1S,3R,4R)-4-[3-[tert-butyl(diphenyl)silyl]oxypropoxy]-3-methoxycyclohexyl]-1-methylethyl]-58,68-dihydroxy-56,59-dimethoxy-47,48,49,50,60,61-hexamethyl-78,79-dioxa-70-azatricyclohexatriaconta-35,37,39(60),40(61)-tetraene-62,63,64,65,66-pentone；(22E,24E,26E,27E,32R,33S,34R,35R,37S,39S,41S,42S,43R,44R,53R)-43,53-dihydroxy-42-[(1R)-2-[(1S,3R,4R)-4-(3-hydroxypropoxy)-3-methoxycyclohexyl]-1-methylethyl]-41,44-dimethoxy-32,33,34,35,45,46-hexamethyl-63,64-dioxa-54-azatricyclohexatriaconta- 22,24,26(45),27(46)-tetraene-47,48,49,50,51-pentone；40-O-(3-hydroxy)propyl-rapamycin；(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-(3-hydroxypropoxy)-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
• CAS: 159351-72-1
• 化学式: C₅₄H₈₅NO₁₄
• 分子量: 972.267
• InChiKey: APYNSLCOFBGTGI-HHBALEPESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  69
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  205
• 氢给体数：
  3
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(1R)-2-[(1S,3R,4R)-4-(3-hydroxypropoxy)-3-methoxycyclohexyl]-1-methylethyl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0^4,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone 、 环丁基甲醇 在 对甲苯磺酸 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 6.0h， 以7.6%的产率得到
  参考文献：
  名称：

  MTORC1 MODULATORS AND USES THEREOF

  摘要：

  The disclosure provides compounds and salts that show high selectivity and inhibitory activity for mTORC1 and uses thereof for the treatment of disease.

  公开号：

  US20220235069A1
• 作为产物：
  描述：

  (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-12-[(1R)-2-[(1S,3R,4R)-4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]-3-methoxycyclohexyl]-1-methyl-ethyl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 0.5h， 以79%的产率得到(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(1R)-2-[(1S,3R,4R)-4-(3-hydroxypropoxy)-3-methoxycyclohexyl]-1-methylethyl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0^4,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
  参考文献：
  名称：

  [EN] MTORC MODULATORS AND USES THEREOF
  [FR] MODULATEURS DE MTORC ET LEURS UTILISATIONS

  摘要：

  本文披露了新型雷帕霉素类似物及其用途。本公开的雷帕霉素类似物相对于雷帕霉素表现出增加的mTORC1特异性和降低的mTORC2特异性。

  公开号：

  WO2020154447A1

文献信息

• [EN] RAPAMYCIN ANALOGS AND USES THEREOF<br/>[FR] ANALOGUES DE LA RAPAMYCINE ET LEURS UTILISATIONS
  申请人：ANAKURIA THERAPEUTICS INC

  公开号：WO2022159976A1

  公开（公告）日：2022-07-28

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用它们的方法。
• mTORC modulators and uses thereof
  申请人：Aeovian Pharmaceuticals, Inc.

  公开号：US11021492B2

  公开（公告）日：2021-06-01

  Novel rapamycin analogs and uses thereof are disclosed herein. The rapamycin analogs of the present disclosure show increased mTORC1 specificity and lowered mTORC2 specificity relative to rapamycin.

  本文公开了新型雷帕霉素类似物及其用途。 与雷帕霉素相比，本公开的雷帕霉素类似物显示出更高的 mTORC1 特异性和更低的 mTORC2 特异性。
• Heparin Prodrugs and Drug Delivery Stents Formed Therefrom
  申请人：Hossainy Syed Faiyaz Ahmed

  公开号：US20090258054A1

  公开（公告）日：2009-10-15

  A prodrug comprising a heparin and a drug is provided. The prodrug can be used to form a coating on a medical device. The prodrug can also be used with a polymeric material to form a coating on a medical device. The polymeric material can be a hydrophobic polymer, a hydrophilic polymer, a non-fouling polymer, or combinations thereof. The medical device can be implanted in a human being for the treatment of a disease such as atherosclerosis, thrombosis, restenosis, hemorrhage, vascular dissection or perforation, vascular aneurysm, vulnerable plaque, chronic total occlusion, claudication, anastomotic proliferation for vein and artificial grafts, bile duct obstruction, ureter obstruction, tumor obstruction, or combinations thereof.
• MTORC MODULATORS AND USES THEREOF
  申请人：Aeovian Pharmaceuticals, Inc.

  公开号：US20210002300A1

  公开（公告）日：2021-01-07

  Novel rapamycin analogs and uses thereof are disclosed herein. The rapamycin analogs of the present disclosure show increased mTORC1 specificity and lowered mTORC2 specificity relative to rapamycin.
• RAPAMYCIN ANALOGS AND USES THEREOF
  申请人：Anakuria Therapeutics, Inc.

  公开号：US20220267352A1

  公开（公告）日：2022-08-25

  The present invention provides compounds, compositions thereof, and methods of using the same.