21-oxobutoxy-17β-hydroxypregn-4-ene-3,11,20-trione | 84623-05-2

• 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: 21-oxobutoxy-17β-hydroxypregn-4-ene-3,11,20-trione
• 英文别名: cortisone 21-butyrate；cortisone butyrate；17-Hydroxy-3,11,20-trioxopregn-4-en-21-yl butanoate；[2-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanoate
• CAS: 84623-05-2
• 化学式: C₂₅H₃₄O₆
• 分子量: 430.541
• InChiKey: QZWJJZINGOPNOU-PNOCSVDBSA-N

物化性质

• 沸点：
  595.2±50.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  97.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  氢化可的松 21-丁酸盐 在 氧气 作用下， 反应 360.0h， 生成 21-oxobutoxy-17β-hydroxypregn-4-ene-3,11,20-trione
  参考文献：
  名称：

  The solid state reactivity of the crystal forms of hydrocortisone esters

  摘要：

  DOI：

  10.1016/s0040-4020(01)90254-6

文献信息

• COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF
  申请人：Hanada Keisuke

  公开号：US20090325992A1

  公开（公告）日：2009-12-31

  A compound represented by general formula (I): a salt thereof, a solvate thereof, or a prodrug thereof wherein all symbols are as defined in the specification has an antagonistic activity against CXCR4 and is therefore useful as a preventive and/or therapeutic agent for CXCR4-mediated diseases, for example, inflammatory and immune diseases (for example, rheumatoid arthritis, arthritis, retinopathy, macular degeneration, pulmonary fibrosis, transplanted organ rejection, etc.), allergic diseases, infections (for example, human immunodeficiency virus infection, acquired immunodeficiency syndrome, etc.), psychoneurotic diseases, cerebral diseases, cardiovascular disease, metabolic diseases, cancerous diseases (for example, cancer, cancer metastasis, etc.), a preventive and/or therapeutic agent for cancerous diseases or infections, or an agent for regeneration therapy.

  化合物的一般式（I）所代表的化合物，其盐、溶剂化物或前药，其中所有符号均如规范中定义的那样，具有对CXCR4的拮抗活性，因此可用作预防和/或治疗CXCR4介导的疾病的药物，例如炎症和免疫性疾病（例如类风湿性关节炎、关节炎、视网膜病变、黄斑变性、肺纤维化、移植器官排斥等）、过敏性疾病、感染（例如人类免疫缺陷病毒感染、获得性免疫缺陷综合症等）、精神神经疾病、脑部疾病、心血管疾病、代谢性疾病、癌症（例如癌症、癌症转移等）的预防和/或治疗药物，或作为再生疗法的药物。
• Photoprotection compositions comprising chelating agents
  申请人：THE PROCTER & GAMBLE COMPANY

  公开号：EP0313305A2

  公开（公告）日：1989-04-26

  The present invention involves photoprotective compositions which are useful for topical application to prevent damage to skin caused by acute or chronic exposure to ultraviolet light comprising chelating agents. Also involved are compositions comprising chelating agents together with anti-inflammatory agents, sunscreening agents, and/or radical scavenging agents. Methods for using such compositions to prevent damage to skin caused by acute or chronic exposure to ultraviolet light are also involved.

  本发明涉及光保护组合物，该组合物可用于局部使用，以防止皮肤因急性或慢性紫外线照射而受损，其中包含螯合剂。本发明还涉及包含螯合剂和消炎剂、防晒剂和/或自由基清除剂的组合物。还涉及使用此类组合物防止皮肤因急性或慢性紫外线照射而受损的方法。
• TOPICAL THERAPEUTIC PREPARATION
  申请人：TAKEDA CHEMICAL INDUSTRIES, LTD.

  公开号：EP0504403A1

  公开（公告）日：1992-09-23
• CHELATOR COMPOSITIONS COMPRISING ALPHA-DIAMINE COMPOUNDS
  申请人：THE PROCTER & GAMBLE COMPANY

  公开号：EP0596876A1

  公开（公告）日：1994-05-18
• EP0596876A4
  申请人：——

  公开号：EP0596876A4

  公开（公告）日：1993-03-01