11beta,17,21-三羟基孕甾-4-烯-3,20-二酮 17-苯甲酸酯 | 28956-89-0

• 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
• 中文名称: 11beta,17,21-三羟基孕甾-4-烯-3,20-二酮 17-苯甲酸酯
• 中文别名: 11beta,17,21-三羟基孕甾-4-烯-3,20-二酮17-苯甲酸酯；化合物 T30375
• 英文名称: 7-(benzoyloxy)-11,21-dihydroxy-(11β)-pregn-4-ene-3,20-dione
• 英文别名: Benzodrocortisone；[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] benzoate
• CAS: 28956-89-0
• 化学式: C₂₈H₃₄O₆
• 分子量: 466.574
• InChiKey: LPEYMYDYPGRLBU-YGZHYJPASA-N

物化性质

• 熔点：
  177-178 °C
• 沸点：
  638.5±55.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

制备方法与用途

一种合成糖皮质激素类固醇药物。

反应信息

• 作为产物：
  描述：

  (E)-2-[(methoxycarbonyl)methylidene]-3-methyltetrahydrofuran 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 48.0h， 以89%的产率得到11beta,17,21-三羟基孕甾-4-烯-3,20-二酮 17-苯甲酸酯
  参考文献：
  名称：

  Synthesis of (tetrahydrofuran-2-yl)acetates based on a ‘cyclization/hydrogenation/enzymatic kinetic resolution’ strategy

  摘要：

  A variety of (tetrahydrofuran-2-yl)acetates and (pyrrolidin-2-yl)acetates have been prepared by hydrogenation of 2-alkylidene-tetrahydrofurans and 2-alkylidenepyrrolidines, which are readily available by cyclization reactions of 1,3-dicarbonyl dianions (free dianions') or 1,3-bis-silyl enol ethers ('masked dianions') with 1,2-dielectrophiles. The enzymatic kinetic resolution of (tetrahydrofuran-2-yl)acetates with recombinant esterase Est56 proceeded with excellent enantioselectivities (E > 100). (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.03.077

文献信息

• [EN] PARTICLES, COMPOSITIONS, AND METHODS FOR OPHTHALMIC AND/OR OTHER APPLICATIONS<br/>[FR] PARTICULES, COMPOSITIONS ET PROCÉDÉS POUR APPLICATIONS OPHTALMIQUES ET/OU AUTRES APPLICATIONS
  申请人：KALA PHARMACEUTICALS INC

  公开号：WO2019055028A1

  公开（公告）日：2019-03-21

  This disclosure relates to particles, compositions, and methods that aid particle transport in mucus are provided. The particles, compositions, and methods may be used, in some instances, for ophthalmic and/or other applications.

  本公开涉及有助于粘液中颗粒传输的颗粒、组合物和方法。这些颗粒、组合物和方法在某些情况下可用于眼科和/或其他应用。
• 4-PREGENEN-11BETA-17-21-TRIOL-3,20-DIONE DERIVATIVES
  申请人：Allergan, Inc.

  公开号：US20130123223A1

  公开（公告）日：2013-05-16

  The present invention relates to novel 4-pregenen-11β-17-21-triol-3,20-dione derivatives, processes for preparing them, pharmaceutical compositions containing them and their use as pharmaceuticals, as modulators of glucocorticoid or mineralocorticoid receptors. The invention relates specifically to the use of these compounds and their pharmaceutical compositions to treat disorders associated with glucocorticoid or mineralocorticoid receptor modulation.

  本发明涉及新型的4-孕烷-11β-17-21-三醇-3,20-二酮衍生物，其制备方法，包含它们的制药组合物以及它们作为药物的用途，作为糖皮质激素或醛固酮受体调节剂。本发明具体涉及这些化合物及其制药组合物用于治疗与糖皮质激素或醛固酮受体调节相关的疾病。
• 4-pregenen-11β-17-21-triol-3,20-dione derivatives
  申请人：Allergan, Inc.

  公开号：US08906892B2

  公开（公告）日：2014-12-09

  The present invention relates to novel 4-pregenen-11β-17-21-triol-3,20-dione derivatives, processes for preparing them, pharmaceutical compositions containing them and their use as pharmaceuticals, as modulators of glucocorticoid or mineralocorticoid receptors. The invention relates specifically to the use of these compounds and their pharmaceutical compositions to treat disorders associated with glucocorticoid or mineralocorticoid receptor modulation.

  本发明涉及新型的4-孕烷-11β-17-21-三醇-3,20-二酮衍生物，制备它们的方法，含有它们的药物组合物以及它们作为药物的用途，作为糖皮质激素或醛固酮受体调节剂。本发明具体涉及使用这些化合物及其药物组合物治疗与糖皮质激素或醛固酮受体调节相关的疾病。
• Pharmaceutical compositions and methods of use of 4-pregenen-11β-17-21-triol-3,20-dione derivatives
  申请人：ALLERGAN, INC.

  公开号：US10188667B2

  公开（公告）日：2019-01-29

  The present invention relates to pharmaceutical compositions comprising 4-pregenen-11β-17-21-triol-3,20-dione derivatives, and their use as pharmaceuticals as modulators of the glucocorticoid receptors (GR) and/or the mineralocorticoid receptors (MR). The invention relates specifically to the use of these compounds and their pharmaceutical compositions to treat ocular conditions associated with the glucocorticoid receptors (GR) and/or the mineralocorticoid receptors (MR).

  本发明涉及包含 4-孕甾-11β-17-21-三醇-3,20-二酮衍生物的药物组合物，以及它们作为糖皮质激素受体（GR）和/或矿质皮质激素受体（MR）调节剂的药物用途。本发明具体涉及使用这些化合物及其药物组合物治疗与糖皮质激素受体（GR）和/或矿质类固醇受体（MR）相关的眼部疾病。
• Anti-MSR1 antibodies and methods of use thereof
  申请人：REGENERON PHARMACEUTICALS, INC.

  公开号：US11377502B2

  公开（公告）日：2022-07-05

  Provided herein are antibodies and antigen-binding fragments that bind MSR1 and methods of use thereof. According to certain embodiments, the antibodies bind human MSR1 with high affinity. In certain embodiments, the antibodies bind MSR1 without blocking, or blocking less than 90%, of modified LDL binding to MSR1. In some embodiments, the antibodies bind cell surface expressed-MSR1 and are internalized. The antibodies of the invention may be fully human antibodies. The invention includes anti-MSR1 antibodies, or antigen-binding fragments thereof, conjugated to drugs or therapeutic compounds.

  本文提供了结合 MSR1 的抗体和抗原结合片段及其使用方法。根据某些实施方案，抗体以高亲和力结合人 MSR1。在某些实施方案中，抗体结合 MSR1 而不阻断或阻断少于 90% 的修饰低密度脂蛋白与 MSR1 的结合。在某些实施方案中，抗体与细胞表面表达的 MSR1 结合并被内化。本发明的抗体可以是全人源抗体。本发明包括与药物或治疗化合物结合的抗MSR1抗体或其抗原结合片段。