甲氧炔雌醇 | 34816-55-2

• 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
• 中文名称: 甲氧炔雌醇
• 中文别名: 莫克塞斯壮；甲氧异炔雌醇；莫克雌醇
• 英文名称: moxestrol
• 英文别名: 11β-methoxy-19-norpregna-1,3,5(10)-trien-20-yne-3,17β-diol；11β-methoxy-17α-ethynylestradiol；17α-ethynyl-11β-methoxyestradiol；17α-ethinyl-11β-methoxy-1,3,5(10)-estratriene-3,17β-diol；11β-Methoxy-19-nor-17α-pregna-1,3,5(10)trien-20-yn-3,17β-diol；(8S,9S,11S,13S,14S,17R)-17-ethynyl-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
• CAS: 34816-55-2
• 化学式: C₂₁H₂₆O₃
• 分子量: 326.436
• InChiKey: MTMZZIPTQITGCY-OLGWUGKESA-N

物化性质

• 熔点：
  280°
• 比旋光度：
  D20 +29° (c = 0.6 in ethanol)
• 沸点：
  404.46°C (rough estimate)
• 密度：
  1.1348 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  49.7
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲氧炔雌醇 以 甲醇 、 氯仿 为溶剂， 生成 2,11β-Dimethoxy-19-nor-17α-pregna-1,3,5(10)trien-20-yn-3,17β-diol
  参考文献：
  名称：

  Reference compounds for the study op moxestrol metabolism

  摘要：

  Reference compounds for the subsequent identification of the metabolites of the potent estrogen, moxestrol (R 2858) , in various species were isolated from the bile of phenobarbital pretreated rats or obtained via enzymatic hydroxylation by microorganisms. A few of them were prepared by chemical synthesis. The structures of all these compounds were determined by physical and chemical methods.

  DOI：

  10.1016/0039-128x(79)90101-6
• 作为产物：
  描述：

  11β-hydroxyestr-4,10-diene-3,17-dione 在 Pd-MgO 高氯酸 、 potassium 2-methylbutan-2-olate 作用下， 以 1,4-二氧六环 、 甲醇 、 2-甲基-2-丁醇 、 二氯甲烷 为溶剂， 生成 甲氧炔雌醇
  参考文献：
  名称：

  Azadian Boulanger; Bertin, Chimica therapeutica, 1973, vol. 8, # 4, p. 451 - 454

  摘要：

  DOI：

文献信息

• Oligonucleotides comprising a non-phosphate backbone linkage
  申请人：Manoharan Muthiah

  公开号：US20060287260A1

  公开（公告）日：2006-12-21

  One aspect of the present invention relates to a ribonucleoside substituted with a phosphonamidite group at the 3′-position. In certain embodiments, the phosphonamidite is an alkyl phosphonamidite. Another aspect of the present invention relates to a double-stranded oligonucleotide comprising at least one non-phosphate linkage. Representative non-phosphate linkages include phosphonate, hydroxylamine, hydroxylhydrazinyl, amide, and carbamate linkages. In certain embodiments, the non-phosphate linkage is a phosphonate linkage. In certain embodiments, a non-phosphate linkage occurs in only one strand. In certain embodiments, a non-phosphate linkage occurs in both strands. In certain embodiments, a ligand is bound to one of the oligonucleotide strands comprising the double-stranded oligonucleotide. In certain embodiments, a ligand is bound to both of the oligonucleotide strands comprising the double-stranded oligonucleotide. In certain embodiments, the oligonucleotide strands comprise at least one modified sugar moiety. Another aspect of the present invention relates to a single-stranded oligonucleotide comprising at least one non-phosphate linkage. Representative non-phosphate linkages include phosphonate, hydroxylamine, hydroxylhydrazinyl, amide, and carbamate linkages. In certain embodiments, the non-phosphate linkage is a phosphonate linkage. In certain embodiments, a ligand is bound to the oligonucleotide strand. In certain embodiments, the oligonucleotide comprises at least one modified sugar moiety.

  本发明的一个方面涉及在3'-位置用磷酰胺基团取代的核糖核苷。在某些实施例中，磷酰胺基团是烷基磷酰胺基团。本发明的另一个方面涉及包含至少一个非磷酸酯连接的双链寡核苷酸。代表性的非磷酸酯连接包括磷酸酯、羟胺、羟基肼基、酰胺和碳酸酯连接。在某些实施例中，非磷酸酯连接是磷酸酯连接。在某些实施例中，非磷酸酯连接仅出现在一条链中。在某些实施例中，非磷酸酯连接出现在两条链中。在某些实施例中，配体结合到包含双链寡核苷酸的寡核苷酸链中的一条链上。在某些实施例中，配体结合到包含双链寡核苷酸的寡核苷酸链中的两条链上。在某些实施例中，寡核苷酸链包含至少一个修饰的糖基团。本发明的另一个方面涉及包含至少一个非磷酸酯连接的单链寡核苷酸。代表性的非磷酸酯连接包括磷酸酯、羟胺、羟基肼基、酰胺和碳酸酯连接。在某些实施例中，非磷酸酯连接是磷酸酯连接。在某些实施例中，配体结合到寡核苷酸链上。在某些实施例中，寡核苷酸包含至少一个修饰的糖基团。
• Oligonucleotides comprising a C5-modified pyrimidine
  申请人：Manoharan Muthiah

  公开号：US20050288244A1

  公开（公告）日：2005-12-29

  One aspect of the present invention relates to a double-stranded oligonucleotide comprising at least one ligand. In certain embodiments, a ligand is bound to only one of the two oligonucleotide strands comprising the double-stranded oligonucleotide. In certain embodiments, both of the oligonucleotide strands of the double-stranded oligonucleotide independently comprise a bound ligand. In certain embodiments, the oligonucleotide strands comprise at least one modified sugar moiety. In certain embodiments, a phosphate linkage in one or both of the strands of the oligonucleotide has been replaced with a phosphorothioate or phosphorodithioate linkage. In a preferred embodiment, the ligand is cholesterol or 5β-cholanic acid. Another aspect of the present invention relates to a single-stranded oligonucleotide comprising at least one ligand. In certain embodiments, the oligonucleotide comprises at least one modified sugar moiety. In certain embodiments, a phosphate linkage of the oligonucleotide has been replaced with a phosphorothioate or phosphorodithioate linkage. In a preferred embodiment, the ligand is cholesterol or 5β-cholanic acid. The ligand improves the pharmacokinetic properties of the oligonucleotide.

  本发明的一个方面涉及包含至少一个配体的双链寡核苷酸。在某些实施例中，配体仅结合到构成双链寡核苷酸的两个核苷酸链中的一个。在某些实施例中，双链寡核苷酸的两个核苷酸链都独立地包含一个结合的配体。在某些实施例中，核苷酸链包含至少一个修饰的糖基。在某些实施例中，核苷酸链的一个或两个链中的磷酸酯键已被磷硫酸酯或磷二硫酸酯键替代。在一个首选实施例中，配体是胆固醇或5β-胆烷酸。本发明的另一个方面涉及包含至少一个配体的单链寡核苷酸。在某些实施例中，核苷酸包含至少一个修饰的糖基。在某些实施例中，核苷酸的磷酸酯键已被磷硫酸酯或磷二硫酸酯键替代。在一个首选实施例中，配体是胆固醇或5β-胆烷酸。配体改善了寡核苷酸的药代动力学性能。
• [EN] PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS<br/>[FR] PYRAZOLO[4,3-D]PYRIMIDINES UTILES EN TANT QU'INHIBITEURS DE KINASES
  申请人：ORIGENIS GMBH

  公开号：WO2012143144A1

  公开（公告）日：2012-10-26

  The present invention relates to novel compounds of formula (I) that are capable of inhibiting one or more kinases, especially SYK (Spleen Tyrosine Kinase), LRRK2 (Leucine-rich repeat kinase 2) and/or MYLK (Myosin light chain kinase) or mutants thereof. The compounds find applications in the treatment of a variety of diseases. These diseases include autoimmune diseases, inflammatory diseases, bone diseases, metabolic diseases, neurological and neurodegenerative diseases, cancer, cardiovascular diseases, allergies, asthma, alzheimer's disease, parkinson's disease, skin disorders, eye diseases, infectious diseases and hormone-related diseases.

  本发明涉及一种能够抑制一个或多个激酶，特别是SYK（脾酪氨酸激酶）、LRRK2（富含亮氨酸重复的激酶2）和/或MYLK（肌球蛋白轻链激酶）或其突变体的化合物的新颖化合物（I）的公式。这些化合物在治疗各种疾病中发挥作用。这些疾病包括自身免疫疾病、炎症性疾病、骨疾病、代谢性疾病、神经和神经退行性疾病、癌症、心血管疾病、过敏、哮喘、阿尔茨海默病、帕金森病、皮肤疾病、眼部疾病、传染病和与激素相关的疾病。
• [EN] HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES EN TANT QU'INHIBITEURS DE KINASES
  申请人：ORIGENIS GMBH

  公开号：WO2012143143A1

  公开（公告）日：2012-10-26

  The present invention relates to novel compounds of formula (I) that are capable of inhibiting one or more kinases, especially SYK (Spleen Tyrosine Kinase), LRRK2 (Leucine-rich repeat kinase 2) and/or MYLK (Myosin light chain kinase) or mutants thereof. The compounds find applications in the treatment of a variety of diseases. These diseases include autoimmune diseases, inflammatory diseases, bone diseases, metabolic diseases, neurological and neurodegenerative diseases, cancer, cardiovascular diseases, allergies, asthma, alzheimer's disease, parkinson's disease, skin disorders, eye diseases, infectious diseases and hormone-related diseases.

  本发明涉及一种能够抑制一个或多个激酶，特别是SYK（脾酪氨酸激酶）、LRRK2（富含亮氨酸重复激酶2）和/或MYLK（肌球蛋白轻链激酶）或其突变体的化合物的新颖化合物（I）的公式。这些化合物在治疗各种疾病中发挥作用。这些疾病包括自身免疫疾病、炎症性疾病、骨疾病、代谢性疾病、神经和神经退行性疾病、癌症、心血管疾病、过敏、哮喘、阿尔茨海默病、帕金森病、皮肤疾病、眼部疾病、传染病和与激素相关的疾病。
• Nitric Oxide Releasing Prodrugs of Therapeutic Agents
  申请人：SATYAM Apparao

  公开号：US20110263526A1

  公开（公告）日：2011-10-27

  The present invention relates to nitric oxide releasing prodrugs of known drugs or therapeutic agents which are represented herein as compounds of formula (I) wherein the drugs or therapeutic agents contain one or more functional groups independently selected from a carboxylic acid, an amino, a hydroxyl and a sulfhydryl group. The invention also relates to processes for the preparation of the nitric oxide releasing prodrugs (the compounds of formula (I)), to pharmaceutical compositions containing them and to methods of using the prodrugs.

  本发明涉及已知药物或治疗剂的一氧化氮释放前药，其在此处表示为式(I)的化合物，其中药物或治疗剂包含一个或多个功能基团，独立地选自羧酸、氨基、羟基和巯基。该发明还涉及制备一氧化氮释放前药（式(I)的化合物）的方法，含有它们的药物组合物以及使用这些前药的方法。