CAS: 618903-56-3; Tetrahydrogestrinone

⚠️《2026年兴奋剂目录》
英文名称Tetrahydrogestrinone
中文名称(8S,13S,14S,17S)-13,17-二乙基-17-羟基-1,2,6,7,8,13,14,15,16,17-十氢-3H-环戊二烯并[a]菲-3-酮
IUPAC名称(8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
其它别名(8S,13S,14S,17S)-13,17-diethyl-17-hydroxy-1,2,6,7,8,14,15,16-°Ctahydr°Cyclopenta[a]phenanthren-3-one; Tetrahydrogestrinone
CAS编号618903-56-3
EINECS号:111-759-3
FDA UNII编号:643MR6L9LB
分子式:C21H28O2分子量:312.45
产品CID: 2701366
产品分类有机原料 → 脂质和类脂质分子 → 类固醇和类固醇衍生物

相似结构搜索
InChIKey: OXHNQTSIKGHVBH-ANULTFPQSA-N
1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h9,11,13,18-19,23H,3-8,10,12H2,1-2H3/t18-,19+,20+,21+/m1/s1
计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数2.0

物理性质

熔点60-62°C
沸点505.7±50.0 °C(预测)
密度1.13±0.1 g/cm3(预测)
pKa:14.79±0.40(预测)
PSA:37.3
LogP:4.4996
溶解性Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
外观形态类白色至淡黄色固体
储存条件安瓿瓶, -20°C 冷藏

欧盟法规

C&L通报

上下游产品

孕三烯酮 Gestrinone 16320-04-0

合成工艺路线路线简述

📜孕三烯酮置于pd-Baso4 氢气体系中,用 1,4-二氧六环作为反应溶剂,化学反应生成 (8S,13S,14S,17S)-13,17-二乙基-17-羟基-1,2,6,7,8,13,14,15,16,17-十氢-3H-环戊二烯并[a]菲-3-酮
参考文献:Preparation Of Antibodies For The Designer Steroid Tetrahydrogestrinone And Development Of An Enzyme-Linked Immunosorbent Assay For Human Urine Analysis
标题:Preparation Of Antibodies For The Designer Steroid Tetrahydrogestrinone And Development Of An Enzyme-Linked Immunosorbent Assay For Human Urine Analysis
摘要:针对四氢孕三烯酮(thg)这种新型类固醇兴奋剂,开发了一种高灵敏度的酶联免疫吸附测定法(elisa).thg因2003年公布的著名的巴尔科实验室丑闻而广为人知.通过将18A-同型-孕-4,9,11-三烯-17β-醇-3-羧甲基肟与鲎血蓝蛋白结合,制备了相应的抗体.该半抗原是通过对孕三烯酮的c-17位炔基团的三键进行可控还原,随后c-3位酮基与羧甲氧基胺半盐酸盐反应形成肟键而合成的.获得的抗血清与孕三烯酮的半抗原衍生物18A-同型-孕-4,9,11-三烯-17β-醇-20-炔-3-羧甲基肟结合牛血清白蛋白一起,建立了一种竞争性elisa方法.在所使用的条件下,Thg在缓冲液中的检测限(lod)为0.045 +/-0.015 μg L-1(n = 9).由于其他评估的类固醇不被识别,该检测方法具有很高的选择性.通过对人体尿液样本的初步实验表明,在经过简单的样本处理后,该检测方法能够应用于这些样本的分析,达到0.25 +/-0.14 μg L-1的检测限.准确性非常好,通过对盲样尿液样本的分析,得到的极佳相关性证明了这一点(斜率0.93,R² = 0.992).
DOI:10.1021/ac061757X

海关参考信息

2901210000-乙烯
2901220000-丙烯
2901241000-1,3-丁二烯
2905122000-异丙醇
💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
详情请参考：📖 海关编码查询和海关进出口税则

专利信息

专利号:US-2025281509-A1
优先权日:2021-04-26
标题 :Sequential hormone therapy to improve survival and enhance response to immune therapy in men with prostate cancer
发明人：DENMEADE SAMUEL R; ISAACS JOHN T; ANTONARAKIS EMMANUEL S; KACHHAP SUSHANT; MARKOWSKI MARK CHRISTOPHER
权利人:UNIV JOHNS HOPKINS
摘要:Disclosed are methods for treating men with castrate resistant prostate cancer with a sufficient dose of testosterone to achieve supraphysiologic serum levels of testosterone in sequence with androgen ablative treatment or androgen synthesis inhibitors for one or more cycles until evidence of radiographic progression, at which point the subject will receive immune checkpoint blockade therapy.