CAS: 60966-36-1; (8S,9S,10R,13S,14S,17R)-17-(1-Hydroxypropan-2-yl)-10,13-Dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-Tetradecahydro-3H-Cyclopenta[a]Phenanthren-3-One

该化合物是一种合成类固醇衍生物,其特征是经修改的百吉纳骨骼,其特征是21位置的液化和20位置的甲基化,这种结构改变增强了其稳定性和潜在的生物活动,使其成为对类固醇研究和制药研究的兴趣的复合体.它的4-en-3-one配置是许多生物活性类固醇的典型,表明它可能与类固醇受体或酶发生相互作用.该化合物可作为合成更复杂的类固醇模拟的关键中间体,或作为分析化学的参考标准.其明确界定的结构有助于精确研究基于类固醇的治疗方法的结构-活动关系.

结构式图片

上下游产品

睾酮 Testosterone 58-22-0
二去甲胆烯醛 (20S)-3-Oxopregn-4-Ene-20-Carboxaldehyde 3986-89-8
20-甲酰基孕甾-4-烯-3-酮 20-Formylpregn-4-En-3-One 24254-01-1
雄烯二酮 Androstenedione 63-05-8
(8S,9S,10R,13S,14S,17R)-17-(1-羟基-2-丙基)-10,13-二甲基-6,7,8,9,10,11,12,13,14,15,16,17-十二氢-3H-环戊二烯并[a]菲-3-酮 22-Hydroxy-23,24-Bisnor-1,4-Choladien-3-One 71658-22-5
胆固醇 Cholesterol 57-88-5

合成工艺路线路线简述

  • 合成目标产物 21-Hydroxy-20-Methylpregn-4-En-3-One 主要起始原料 3-Oxopregn-4-Ene-20-Carbaldehyde
  • (文献来源)合成步骤主要原料 3-Oxopregn-4-Ene-20-Carbaldehyde
📜20-甲酰基孕甾-4-烯-3-酮置于二氧化锰,Sodium Borohydrid体系中,用 甲醇,氯仿 作为反应溶剂,化学反应生成 21-羟基-20-甲基孕甾-4-烯-3-酮
参考文献:Testosterone 5.Alpha.-Reductase Inhibitors
标题:Testosterone 5.Alpha.-Reductase Inhibitors
摘要:下列通式化合物是睾酮5α-还原酶抑制剂,可用于治疗痤疮和油性皮肤:##str1## 其中n为0至4的整数;r.Sub.1为--Coor.Sub.2,--Conr.Sub.3 R.Sub.4,--Cho或--Ch.Sub.2 Or.Sub.5;r.Sub.2为氢,1至4个碳原子的直链或支链低烷基,或苄基;r.Sub.3和r.Sub.4中的每一个为氢或1至4个碳原子的直链或支链低烷基;r.Sub.5为氢,烷基羰基,其中烷基部分具有1至20个碳原子且为直链或支链,苯甲酰基,苯基烷基羰基,其中烷基部分具有1至6个碳原子且为直链或支链,或环烷基羰基,其中环烷基部分具有5至10个碳原子.

海关参考信息

专利信息


专利号:US-11479577-B2
优先权日:2016-05-18
标题:Intermediates for the synthesis of bile acid derivatives, in particular of obeticholic acid
发明人:WEYMOUTH-WILSON ALEXANDER; KOMSTA ZOFIA; WALLIS LAURA; EVANS TIMOTHY; DAVIES IEUAN; OTTER CARL; BATCHELOR RHYS
权利人:NZP UK LTD
摘要:The present invention relates to compounds which are intermediates in the synthesis of bile acid derivatives with pharmacological activity. The invention relates to compounds of general formula (I):wherein:, R1, R2, R3, R4, R5, R6 and Y are as defined herein.The compounds are intermediates in the synthesis of synthetic bile acids which are useful in the treatment of conditions such as liver disease. In addition, the invention relates to a method of synthesizing these intermediates and a method of preparing obeticholic acid and obeticholic acid analogues from the compounds of the invention.

专利号:US-10766921-B2
优先权日:2016-05-18
标 题 :Process and intermediates for the 6,7-alpha-epoxidation of steroid 4,6-dienes
发明人:WEYMOUTH-WILSON ALEXANDER; KOMSTA ZOFIA; WALLIS LAURA; EVANS TIMOTHY
权利人:NZP UK LTD
摘要:The invention relates to a process for preparing a compound of general formula (Ia): wherein R2, Y, R4 and R5 are as defined herein, wherein the epoxidation is conducted using an oxidant and methyltrioxorhenium as a catalyst (MeReO3). The invention also relates to certain compounds per se. The compounds are intermediates in the synthesis of synthetic bile acids.

专利号:US-10301350-B2
优先权日:2014-11-19
标题 :6-alkyl-7-hydroxy-4-en-3-one steroids as intermediates for the production of steroidal FXR modulators
发明人:WEYMOUTH-WILSON ALEXANDER; KOMSTA ZOFIA; BOYDELL JAMES; OTTER CARL; WALLIS LAURA; BATCHELOR RHYS
权利人:NZP UK LTD
摘要:The invention relates to compounds of formula (I) and related methods, wherein R 1 , R 2 , Y, R 4 and R 5 are as defined herein. The compounds are intermediates in the synthesis of synthetic bile acids with pharmacological activity. The invention futher provides intermediated in the systhesis of obeticholic acid and its analogues. The invention also provides methods related to the synthesizing of these intermediates and methods of preparing obeticholic acid and obeticholic acid analogues from the compound of the invention.

专利号:US-10597423-B2
优先权日:2014-11-19
标题 :6.alpha.-alkyl-6,7-dione steroids as intermediates for the production of steroidal FXR modulators
发明人:WEYMOUTH-WILSON ALEXANDER; KOMSTA ZOFIA; BOYDELL JAMES; WALLIS LAURA; OTTER CARL; DAVIES IEUAN; CLARKSON ROB
权利人:NZP UK LTD
摘要:Disclosed herein is a process for the preparation of a compound of formula (I) and related methods. The compounds of formula (I) are intermediates in the synthesis of synthetic bile acids and its analogues, and the compounds of formula (I) have pharmacological activity. Methods include the synthesizing of these intermediates, and methods of preparing obeticholic acid and obeticholic acid analogues from the prepared compounds.

专利号:US-10538550-B2
优先权日:2014-11-19
标 题:6.alpha.-alkyl-3,7-dione steroids as intermediates for the production of steroidal FXR modulators
发明人:WEYMOUTH-WILSON ALEXANDER; KOMSTA ZOFIA; BOYDELL JAMES; WALLIS LAURA; BATCHELOR RHYS; OTTER CARL; DAVIES IEUAN
权利人:NZP UK LTD
摘要:The invention relates to compounds of formula (I) wherein R 1 , R 2 , Y 1 , R 4 and R 5 are as defined herein. The compounds are intermediates in the synthesis of synthetic bile acid derivatives with pharmacological activity. The invention further provides methods related to the synthesizing of these intermediates, and methods of preparing obeticholic acid and obeticholic acid analogues from the compounds of the invention.

专利号:US-10131688-B2
优先权日:2014-11-19
标题:5.beta.-6-alkyl-7-hydroxy-3-one steroids as intermediates for the production of steroidal FXR modulators
发明人:WEYMOUTH-WILSON ALEXANDER; KOMSTA ZOFIA; BOYDELL JAMES; WALLIS LAURA; BARTLETT NATHAN; SHELBOURNE MONTSERRAT
权利人:NZP UK LTD
摘要:The invention relates to compounds of formula (I): wherein R 1 , R 2 , Y, R 4 and R 5 are as defined herein. The compounds are intermediates in the synthesis of synthetic bile acids.

供应商参考报价(招募中)

品牌试剂参考报价(招募中)

📌 第三方产品分析报告

✅ COA系统入驻 | 共享模式

主要参考文献

参考标题: Intermediates For The Synthesis Of Bile Acid Derivatives, In Particular Of Obeticholic Acid Intermédiaires Pour La Synthèse De Dérivés De L'Acide Biliaire, En Particulier De L'Acide Obéticholique
摘要:The Invention Relates To Compounds Of General Formula (I): Wherein: R1,R2, R3, R4, R5, R6 And Y Are As Defined Herein. The Compounds Are Intermediates In The Synthesis Of Synthetic Bile Acids Which Are Useful In The Treatment Of Conditions Such As Liver Disease.

合成参考文献


摘要:S109 | PARCEDC | List of 7074 potential endocrine disrupting compounds (EDCs) by PARC T4.2 | DOI:10.5281/zenodo.10944198
📝 需求与反馈
尽可能描述清楚需求与问题信息
×

通知