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4-妊烯酮-6-Β,17,21-OL-3,11,20-三酮 | 16355-28-5

中文名称
4-妊烯酮-6-Β,17,21-OL-3,11,20-三酮
中文别名
4-孕烯-6-Β,17,21-OL-3,11,20-三酮
英文名称
6β,17,21-trihydroxypregn-4-ene-3,11,20-trione
英文别名
6β-hydroxycortisone;6β,17,21-trihydroxy-pregn-4-ene-3,11,20-trione;6β,17,21-Trihydroxy-pregn-4-en-3,11,20-trion;6β,17α,21-Trihydroxy-pregn-4-en-3,11,20-trion;6beta-Hydroxycortisone;(6R,8S,9S,10R,13S,14S,17R)-6,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione
4-妊烯酮-6-Β,17,21-OL-3,11,20-三酮化学式
CAS
16355-28-5
化学式
C21H28O6
mdl
——
分子量
376.45
InChiKey
BCHHPSBWEQCAPG-WTCKOWDJSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    0.2
  • 重原子数:
    27
  • 可旋转键数:
    2
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.761
  • 拓扑面积:
    112
  • 氢给体数:
    3
  • 氢受体数:
    6

SDS

SDS:19166145aa67d51df79aaace28351397
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上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

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文献信息

  • Evaluation of 6β-Hydroxycortisol, 6β-Hydroxycortisone, and a Combination of the Two as Endogenous Probes for Inhibition of CYP3A4 In Vivo
    作者:C-C Peng、I Templeton、K E Thummel、C Davis、K L Kunze、N Isoherranen
    DOI:10.1038/clpt.2011.53
    日期:2011.6
    An endogenous probe for CYP3A activity would be useful for early identification of in vivo cytochrome P450 (CYP) 3A4 inhibitors. The aim of this study was to determine whether formation clearance (CL(f)) of the sum of 6 beta-hydroxycortisol and 6 beta-hydroxycortisone is a useful probe of CYP3A4 inhibition in vivo. In human liver microsomes (HLMs), the formation of 6 beta-hydroxycortisol and 6 beta-hydroxycortisone was catalyzed by CYP3A4, and itraconazole inhibited these reactions with half maximal inhibitory concentration (IC(50))(,u) values of 3.1 nmol/l and 3.4 nmol/l, respectively. The in vivo IC(50,u) value of itraconazole for the combined CL(f) of 6 beta-hydroxycortisone and 6 beta-hydroxycortisol was 1.6 nmol/l. The greater inhibitory potency in vivo is probably due to circulating inhibitory itraconazole metabolites. The maximum in vivo inhibition was 59%, suggesting that f(m,CYP3A4) for cortisol and cortisone 6 beta-hydroxylation is similar to 60%. Given the significant decrease in CL(f) of 6 beta-hydroxycortisone and 6 beta-hydroxycortisol after 200-mg and 400-mg single doses of itraconazole, this endogenous probe can be used to detect moderate and potent CYP3A4 inhibition in vivo.
  • [EN] BASAL CELL CARCINOMA CULTURES, COMPOSITIONS AND METHODS RELATED THERETO<br/>[FR] CULTURES D'EPITHELIOMA CUTANE BASOCELLULAIRE, COMPOSITIONS ET METHODES ASSOCIEES
    申请人:CURIS INC
    公开号:WO2002044344A2
    公开(公告)日:2002-06-06
    The present invention relates to the discovery of methods for culturing basal cell carcinomas. In one aspect the invention provides basal cell carcinoma cultures. In other aspects, the invention provides media, screening assays and methods for making BCC cultures. The cultures, media, assays and methods of the invention will be useful, in part, for finding BCC therapeutics and allowing more sophisticated in vitro studies of BCCs.
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同类化合物

(5β)-17,20:20,21-双[亚甲基双(氧基)]孕烷-3-酮 (5α)-2′H-雄甾-2-烯并[3,2-c]吡唑-17-酮 (3β,20S)-4,4,20-三甲基-21-[[[三(异丙基)甲硅烷基]氧基]-孕烷-5-烯-3-醇-d6 (25S)-δ7-大发酸 (20R)-孕烯-4-烯-3,17,20-三醇 (11β,17β)-11-[4-({5-[(4,4,5,5,5-五氟戊基)磺酰基]戊基}氧基)苯基]雌二醇-1,3,5(10)-三烯-3,17-二醇 齐墩果酸衍生物1 黄麻属甙 黄芪皂苷III 黄芪皂苷 II 黄芪甲苷 IV 黄芪甲苷 黄肉楠碱 黄果茄甾醇 黄杨醇碱E 黄姜A 黄夹苷B 黄夹苷 黄夹次甙乙 黄夹次甙乙 黄夹次甙丙 黄体酮环20-(乙烯缩醛) 黄体酮杂质EPL 黄体酮杂质1 黄体酮杂质 黄体酮杂质 黄体酮EP杂质M 黄体酮EP杂质G(RRT≈2.53) 黄体酮EP杂质F 黄体酮6-半琥珀酸酯 黄体酮 17alpha-氢过氧化物 黄体酮 11-半琥珀酸酯 黄体酮 麦角甾醇葡萄糖苷 麦角甾醇氢琥珀酸盐 麦角甾烷-6-酮,2,3-环氧-22,23-二羟基-,(2b,3b,5a,22R,23R,24S)-(9CI) 麦角甾烷-3,6,8,15,16-五唑,28-[[2-O-(2,4-二-O-甲基-b-D-吡喃木糖基)-a-L-呋喃阿拉伯糖基]氧代]-,(3b,5a,6a,15b,16b,24x)-(9CI) 麦角甾烷-26-酸,5,6:24,25-二环氧-14,17,22-三羟基-1-羰基-,d-内酯,(5b,6b,14b,17a,22R,24S,25S)-(9CI) 麦角甾-8-烯-3-醇 麦角甾-8,24(28)-二烯-26-酸,7-羟基-4-甲基-3,11-二羰基-,(4a,5a,7b,25S)- 麦角甾-7,22-二烯-3-酮 麦角甾-7,22-二烯-17-醇-3-酮 麦角甾-5,24-二烯-26-酸,3-(b-D-吡喃葡萄糖氧基)-1,22,27-三羟基-,d-内酯,(1a,3b,22R)- 麦角甾-5,22,25-三烯-3-醇 麦角甾-4,6,8(14),22-四烯-3-酮 麦角甾-1,4-二烯-3-酮,7,24-二(乙酰氧基)-17,22-环氧-16,25-二羟基-,(7a,16b,22R)-(9CI) 麦角固醇 麦冬皂苷D 麦冬皂苷D 麦冬皂苷 B