22-Hydroxycholest-4-en-3-one | 60881-76-7

• 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: 22-Hydroxycholest-4-en-3-one
• 英文别名: (8S,9S,10R,13S,14S,17R)-17-[(2S,3R)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
• CAS: 60881-76-7
• 化学式: C₂₇H₄₄O₂
• 分子量: 400.6
• InChiKey: YXEUIHYGTAHPFF-JBZOCUGJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• LIGANDS FOR NEMATODE NUCLEAR RECEPTORS AND USES THEREOF
  申请人：Mangelsdorf J. David

  公开号：US20070219173A1

  公开（公告）日：2007-09-20

  Anti-nematode compounds, compositions, and methods for identifying such compounds are disclosed, where the compounds have the formula I: where Q, Q′, R 1 , R 2 , and n are defined herein.

  本文披露了抗线虫化合物、组合物以及鉴定这种化合物的方法，其中化合物的公式为I：其中Q、Q'、R1、R2和n的定义如本文所述。
• STEROL SIDE CHAIN-CLEAVING ENZYME PROTEIN AND USE THEREOF
  申请人：Mitsubishi Chemical Corporation

  公开号：EP2386634A1

  公开（公告）日：2011-11-16

  It is an object of the present invention to obtain highly active P450scc enzyme protein which is is an important enzyme protein that catalyzes the first step of the biosynthesis of industrially useful steroid hormone. The present invention provides a sterol side chain cleavage enzyme protein having the following physicochemical properties: (1) action: the enzyme acts on sterol represented by formula (I) as defeined in the specifciatin and cleaves the carbon-carbon bond between positions 20 and 22 of a sterol side chain portion by its activity of cleaving the bonds, so as to generate a compound represented by formula (II) as defeined in the specifciatin; (2) substrate specificity: when microorganisms that produce the enzyme protein are allowed to react with an aqueous solution containing 100 µg/ml 4-cholesten-3-onc or cholesterol at 28°C for 5 hours, the conversion reaction rate from 4-cholesten-3-one to progesterone is 10% or more, and the conversion rate from cholesterol to pregnenolone is 10% or more;

  本发明的目的是获得高活性的 P450scc 酶蛋白，它是催化工业上有用的甾体激素生物合成第一步的重要酶蛋白。本发明提供的甾醇侧链裂解酶蛋白具有以下理化特性： (1)作用：该酶作用于式(I)代表的甾醇，通过其裂解键的活性，裂解甾醇侧链部分第 20 位和第 22 位之间的碳-碳键，从而生成式(II)代表的化合物； (2) 底物特异性：当让产生该酶蛋白的微生物与含有 100 µg/ml 4-胆甾烯-3-酮或胆固醇的水溶液在 28℃反应 5 小时时，从 4-胆甾烯-3-酮到孕酮的转化反应率为 10%或以上，从胆固醇到孕烯醇酮的转化率为 10%或以上；
• Ligands for nematode nuclear receptors and uses thereof
  申请人：Board of Regents, University of Texas System

  公开号：US10117878B2

  公开（公告）日：2018-11-06

  An effective anti-nematode methodology entails contacting nematodes with a biologically effective amount of at least one compound according to formula I: where Q, Q′, R1, R2, and n are defined herein, or with a stereoisomer, solvate, or pharmaceutically acceptable salt of such compound.

  有效的抗线虫方法需要将线虫与生物有效量的至少一种根据式 I 的化合物接触： 其中 Q、Q′、R1、R2 和 n 在本文中定义，或与该化合物的立体异构体、溶液或药学上可接受的盐接触。
• US7825269B2
  申请人：——

  公开号：US7825269B2

  公开（公告）日：2010-11-02
• [EN] LIGANDS FOR NEMATODE NUCLEAR RECEPTORS AND USES THEREOF<br/>[FR] LIGANDS POUR RÉCEPTEURS NUCLÉAIRES DE NÉMATODES ET LEURS UTILISATIONS
  申请人：UNIV TEXAS

  公开号：WO2007103508A2

  公开（公告）日：2007-09-13

  [EN] Anti-nematode compounds, compositions, and methods for identifying such compound are disclosed, where the compounds have the formula I: where Q, Q', R¹, R², and n are defined herein
  [FR] La présente invention concerne des composés, des compositions anti-nématodes, et des procédés d'identification de tels composés, où les composés sont de formule I, dans laquelle Q, Q', R¹, R², et n sont tels que définis dans la description.