(8S,9S,10S,13S,14S)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

• 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: (8S,9S,10S,13S,14S)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
• 化学式: C₁₉H₃₀O
• 分子量: 274.4
• InChiKey: VMNRNUNYBVFVQI-OJEXMJBDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (8S,9S,10S,13S,14S)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one 、 硼氢化钠 生成 3-hydroxy androstane
  参考文献：
  名称：

  MURUGAN R., CAN. J. CHEM., 1980, 58, NO 18, 1993-1995

  摘要：

  DOI：

文献信息

• [EN] TARGETED RADIOLABELED COMPOUNDS AND THEIR USE FOR THE TREATMENT AND DIAGNOSIS OF CANCER<br/>[FR] COMPOSÉS RADIOMARQUÉS CIBLÉS, ET LEUR UTILISATION POUR LE TRAITEMENT ET LE DIAGNOSTIC DU CANCER
  申请人：UNIV NEBRASKA

  公开号：WO2011079245A1

  公开（公告）日：2011-06-30

  Method of using androgen receptor and/or butyrylcholinesterase targeted radiolabeled compounds, e.g., cycloSalingenyl pyrimidine nucleoside monophosphates, for the treatment and diagnosis of cancer.

  使用雄激素受体和/或丁酰胆碱酯酶靶向放射标记化合物的方法，例如环萨林基嘌呤核苷酸单磷酸，用于癌症的治疗和诊断。
• COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES
  申请人：Johansen Lisa M.

  公开号：US20100009970A1

  公开（公告）日：2010-01-14

  The present invention features compositions, methods, and kits useful in the treatment of viral diseases. In certain embodiments, the viral disease is caused by a single stranded RNA virus, a flaviviridae virus, or a hepatic virus. In particular embodiments, the viral disease is viral hepatitis (e.g., hepatitis A, hepatitis B, hepatitis C, hepatitis D, hepatitis E) and the agent or combination of agents includes sertraline, a sertraline analog, UK-416244, or a UK-416244 analog. Also featured are screening methods for identification of novel compounds that may be used to treat a viral disease.

  本发明涉及用于治疗病毒性疾病的组合物、方法和试剂盒。在某些实施方式中，病毒性疾病是由单链RNA病毒、黄病毒科病毒或肝病毒引起的。在特定实施方式中，病毒性疾病是病毒性肝炎（例如甲型肝炎、乙型肝炎、丙型肝炎、丁型肝炎、戊型肝炎），药剂或药剂组合包括舍曲林、舍曲林类似物、UK-416244或UK-416244类似物。还包括用于鉴定可用于治疗病毒性疾病的新化合物的筛选方法。
• 17B-N-Substituted adamantyl/norbonanyl carbamoyl-4-aza-5a-and-rost-1-en-3-ones and androstan-3 ones
  申请人：MERCK & CO. INC.

  公开号：EP0547687A1

  公开（公告）日：1993-06-23

  17β-N-substituted adamantyl/norbornanyl carbamoyl-4-aza-5α-androst-1-en-3-ones and androstan-3-ones as 5α-reductase inhibitors of the formula:

  17β-N-取代-金刚烷/去甲莰基氨酰基-4-氮杂-5α-雄烯-1-烯-3-酮和雄甾烷-3-酮作为5α-还原酶抑制剂的化学式：
• 6-ALKOXYALKYL ESTRADIOL DERIVATIVES AND METHODS OF USE
  申请人：Yarger James

  公开号：US20080119447A1

  公开（公告）日：2008-05-22

  A compound having the structure: wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 9 are independently hydrogen, C 1 to C 6 alkyl or substituted alkyl, halogen, sulfate or glucuronide moieties; the symbol represents either a single or a double bond and when the symbol is a double bond and forms a keto group at position 3 or 17, then no R 7 or R 6 is present, respectively; the symbol represent the presence or absence of a bond at position 10; and the symbol represents any type of bond regardless of the stereochemistry. The invention also embraces the enantiomers, other stereochemical isomers, hydrates, solvates, tautomers and pharmaceutically acceptable salts of said compounds.

  一种具有以下结构的化合物：其中R1，R2，R3，R4，R5，R6，R7和R9独立地表示氢，C1至C6烷基或取代烷基，卤素，硫酸盐或葡萄糖醛酸酯基；符号表示单键或双键，当符号为双键并在3或17号位置形成酮基时，分别不存在R7或R6；符号表示在10号位置存在或不存在键；符号表示任何类型的键，不考虑立体化学。该发明还包括所述化合物的对映体、其他立体化学异构体、水合物、溶剂化物、互变异构体和药学上可接受的盐。
• 6-SUBSTITUTED ESTRADIOL DERIVATIVES AND METHODS OF USE
  申请人：YARGER JAMES

  公开号：US20080312202A1

  公开（公告）日：2008-12-18

  A compound having the structure: wherein R 1 and Z are as described above, X is selected from the group consisting of: C 1 -C 6 alkyl, a substituted alkyl, a halogen, a halogenated alkyl, a glucuronide, —NH 2 , —SO 2 NH 2 , —COOH, —CN, —CH 2 CN, —NHCN, —CHO, —COOsalt, —OSO 2 alkyl, —SH, —SCH 3 —CH(CH 2 ) n COOCH 3 , —(CH 2 ) n —O—CH 3 , —CH 2 OH, —(CH 2 ) n —O—NH 2 , —NH(CH 2 ) n CH 3 , NH(CH 2 ) n OCH 3 , —NH(CH 2 ) n CHOH—COOH, —N(CH 3 ) 2 , —(CH 2 ) n (NH)CH 2 OH, —NHCOOH, —(CH 2 ) n NHCOOH, —NO 2 , —SCN, —SO 2 alkyl, —B(OH) 2 , —(CH 2 ) n N(CH 3 )—SO 2 —NH 3 , —(CH 2 ) n NH—SO 2 —NH 2 , —NHC(═S)CH 3 , and —NHNH 2 ; R 3 is selected from the group consisting of: H, a C 1 -C 6 alkyl, a substituted alkyl, a halogen, and a halogenated alkyl; R 4 and Y are independently selected from a group consisting of: O, —OH, —H, a —C 1 -C 6 alkyl, a substituted alkyl, a halogen, a halogenated alkyl, a sulfate, a glucuronide, a bulky group, a phenyl or a substituted phenyl group, a cyclo- or heterocyclo group, piperidine, piperazine, morpholine, pyrimidine, —NH 2 , —N(CH 2 ) n CH 3 ; a phosphate group, a phosphinate group, wherein n is an integer and can be any number between 0 - 7 , the symbol represents either a single or a double bond capable of forming a keto group at position 3 or 17; and the symbol represents any type of bond regardless of the stereochemistry; and the respective enantiomers, other stereochemical isomers, hydrates, solvates, tautomers and pharmaceutically acceptable salts of said compounds.

  一种化合物具有以下结构：其中R1和Z如上所述，X选自以下组：C1-C6烷基，取代烷基，卤素，卤代烷基，葡萄糖酸盐，—NH2，—SO2NH2，—COOH，—CN，—CH2CN，—NHCN，—CHO，—COOsalt，—OSO2烷基，—SH，—SCH3—CH（CH2）nCOOCH3，—（CH2）n—O—CH3，—CH2OH，—（CH2）n—O—NH2，—NH（CH2）nCH3，NH（CH2）nOCH3，—NH（CH2）nCHOH—COOH，—N（CH3）2，—（CH2）n（NH）CH2OH，—NHCOOH，—（CH2）nNHCOOH，—NO2，—SCN，—SO2烷基，—B（OH）2，—（CH2）nN（CH3）—SO2—NH3，—（CH2）nNH—SO2—NH2，—NHC（═S）CH3和—NHNH2；R3选自以下组：H，C1-C6烷基，取代烷基，卤素和卤代烷基；R4和Y独立地选自以下组：O，—OH，—H，—C1-C6烷基，取代烷基，卤素，卤代烷基，硫酸盐，葡萄糖酸盐，臃肿基，苯基或取代苯基，环状或杂环基，哌啶，哌嗪，吗啉，嘧啶，—NH2，—N（CH2）nCH3；磷酸盐，磷酸酯盐，其中n是整数，可以是0-7之间的任何数字，符号表示能够在位置3或17形成酮基的单键或双键；符号表示任何类型的键，不考虑立体化学；以及所述化合物的相应对映异构体，其他立体化学异构体，水合物，溶剂化物，互变异构体和药学上可接受的盐。