acetic acid 2-((4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-8-benzyl-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-aza-pentaleno[2,1-a]phenanthren-6b-yl)-2-oxo-ethyl ester | 1323941-13-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: acetic acid 2-((4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-8-benzyl-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-aza-pentaleno[2,1-a]phenanthren-6b-yl)-2-oxo-ethyl ester
• 英文别名: [2-[(1S,2S,4R,8S,9S,11S,12S,13R)-6-benzyl-11-hydroxy-9,13-dimethyl-16-oxo-6-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] acetate
• CAS: 1323941-13-4
• 化学式: C₃₂H₃₉NO₅
• 分子量: 517.665
• InChiKey: WDJLCLDMVPFGPN-QJNLKZHLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  83.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  acetic acid 2-((4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-8-benzyl-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-aza-pentaleno[2,1-a]phenanthren-6b-yl)-2-oxo-ethyl ester 在 盐酸 、 碳酸氢钠 作用下， 以 水 、 乙腈 为溶剂， 生成 acetic acid 2-((4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-aza-pentaleno[2,1-a]phenanthren-6b-yl)-2-oxo-ethyl ester hydrochloride
  参考文献：
  名称：

  [EN] ANTI-HUMAN VISTA ANTIBODIES AND USE THEREOF
  [FR] ANTICORPS ANTI-VISTA HUMAINS ET UTILISATION ASSOCIÉE

  摘要：

  本发明提供了抗VISTA抗体药物偶联物，可用于针对免疫细胞（例如，髓系细胞）的靶向递送抗炎剂，例如类固醇。本发明还提供了在治疗炎症和/或自身免疫状况以及/或减轻抗炎剂（如类固醇）的毒性中使用抗VISTA抗体药物偶联物的方法。

  公开号：

  WO2021216913A1
• 作为产物：
  描述：

  N-(甲氧甲基)-N-(三甲基硅甲基)苄胺 、 [2-[(8S,9S,10R,11S,13S,14S)-11-羟基-10,13-二甲基-3-氧代-6,7,8,9,11,12,14,15-八氢环戊烯并[a]菲-17-基]-2-氧代乙基]乙酸酯 在 三氟乙酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.33h， 以95%的产率得到acetic acid 2-((4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-8-benzyl-5-hydroxy-4a,6a-dimethyl-2-oxo-2,4b,5,6,6a,7,8,9,9a,10,10a,10b,11,12-tetradecahydro-4aH-8-aza-pentaleno[2,1-a]phenanthren-6b-yl)-2-oxo-ethyl ester
  参考文献：
  名称：

  PYRROLIDINE DERIVATIVES

  摘要：

  本发明涉及新型糖皮质激素系列的抗炎和抗过敏化合物，制备此类化合物的方法，包含它们的药物组合物，它们的组合和治疗用途。更具体地，本发明涉及吡咯烷衍生物的糖皮质激素。

  公开号：

  US20110201580A1

文献信息

• [EN] PREGNANE COMPOUNDS CONDENSED IN POSITION 16,17 WITH A PYROLIDINE RING WITH GLUCOCORTICOID ACTIVITY<br/>[FR] DÉRIVÉS DE PYRROLIDINE
  申请人：CHIESI FARMA SPA

  公开号：WO2011095535A3

  公开（公告）日：2011-11-17
• US8481517B2
  申请人：——

  公开号：US8481517B2

  公开（公告）日：2013-07-09
• [EN] PYRROLIDINE DERIVATIVES<br/>[FR] DÉRIVÉS DE PYRROLIDINE
  申请人：CHIESI FARMA SPA

  公开号：WO2011095535A2

  公开（公告）日：2011-08-11

  The present invention relates to novel anti-inflammatory and antiallergic compounds of the glucocorticosteroid series, methods of preparing such compounds, pharmaceutical compositions comprising them, combinations and therapeutic uses thereof. More particularly, the invention relates to glucocorticosteroids that are derivatives of pyrrolidine.
• [EN] NOVEL STEROID PAYLOADS, STEROID LINKERS, ADCs CONTAINING AND USE THEREOF<br/>[FR] NOUVELLE CHARGE UTILE DE STÉROÏDE, LIEURS DE STÉROÏDES, CAM LES CONTENANT ET UTILISATION ASSOCIÉE
  申请人：[en]IMMUNEXT, INC.

  公开号：WO2022150637A1

  公开（公告）日：2022-07-14

  The invention provides novel glucocorticosteroids, glucocorticosteroid-linkers and antibody drug conjugates (ADC's) comprising an antibody or antibody fragment which binds to an antigen expressed on immune cells, optionally an antigen expressed on human immune cells. In some instances the ADCs comprise an anti-human VISTA (V-region Immunoglobulin-containing Suppressor of T cell Activation(1)) antibody or anti-VISTA antigen-binding antibody fragment which binds to VISTA expressing cells at physiologic pH having a short serum half-life (≈ 24-72 or 24-48 or 12-24 hours or less in a human VISTA knock-in rodent or ((≈ 1-3.5 days or less in a human or non-human primate). In some instances these ADCs have a rapid onset of action and are potent for prolonged duration as they are very effectively internalized by immune cells in large amounts where they are cleaved releasing large amounts of active steroid payload. The invention also relates to the use of such ADCs and novel steroids for the treatment of autoimmune, allergic and inflammatory conditions. The invention further relates to methods for reducing the adverse side effects and/or enhancing the efficacy of glucocorticoid receptor agonists by using such ADCs to selectively deliver these anti-inflammatory agents to target immune cells, such as monocytes, neutrophils, B cells, T cells, Tregs, eosinophils, NK cells, macrophages, myeloid cells, et al., and particularly myeloid cells, thereby reducing potential toxicity to non-target cells.