Pregnenolone 16alpha-carbonitrile | 6694-05-9

• 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: Pregnenolone 16alpha-carbonitrile
• 英文别名: 17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrile
• CAS: 6694-05-9
• 化学式: C₂₂H₃₁NO₂
• 分子量: 341.494
• InChiKey: VSBHRRMYCDQLJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  25
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  61.1
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Composition and method for modulating BAR/FXR receptor activity
  申请人：Allergan Sales, Inc.

  公开号：US20030144360A1

  公开（公告）日：2003-07-31

  Methods for modulating the activity of the mammalian BAR/FXR receptor. The methods include methods of treating a hypocholesterolemic mammal comprising contacting the mammal with synthetic compounds able to modulate an activity characteristic of the BAR/FXR receptor. Other methods include a method of treating colon cancer in a mammal comprising administering a compound having a BAR/FXR antagonistic activity.

  调节哺乳动物BAR/FXR受体活性的方法。这些方法包括治疗低胆固醇哺乳动物的方法，包括将合成化合物与哺乳动物接触，能够调节BAR/FXR受体特征活性的方法。其他方法包括治疗哺乳动物结肠癌的方法，包括给予具有BAR/FXR拮抗活性的化合物。
• Small Molecule Agonists and Antagonists of NR2F6 Activity in Humans
  申请人：Regen BioPharma, Inc.

  公开号：US20180214413A1

  公开（公告）日：2018-08-02

  The present technology is directed to modulators of nuclear receptor activity, specifically to the modulation of NR2F6 activity and NR2F6 utilizing compounds, and the immune modulation and modulation of cancer stem cell activity through administration of compounds described herein to humans.

  目前的技术是针对核受体活性调节剂，具体是针对NR2F6活性的调节和利用NR2F6化合物的调节，以及通过将本文描述的化合物用于人体来进行免疫调节和调节癌症干细胞活性。
• [EN] NOVEL 5-HT2 ANTAGONISTS<br/>[FR] NOUVEAUX ANTAGONISTES 5-HT2
  申请人：ANAMAR AB

  公开号：WO2016207231A1

  公开（公告）日：2016-12-29

  The present invention relates to 1-amidino-3-aryl-2-pyrazoline derivatives of the general formula I The invention specifically relates to such derivatives which exhibit antagonizing activity towards serotonin 5-HT2B receptors. The present invention also relates to use of said compounds as a medicament and for the treatment of fibrosis, cardiovascular diseases, pain, IBD, and other inflammatory diseases, as well as pharmaceutical compositions comprising one or more of said compounds and methods of treatment.

  本发明涉及通式I的1-酰胺基-3-芳基-2-吡唑啉衍生物。本发明特别涉及具有拮抗5-羟色胺5-HT2B受体活性的这些衍生物。本发明还涉及使用所述化合物作为药物并用于治疗纤维化、心血管疾病、疼痛、炎症性肠病和其他炎症性疾病，以及包含一种或多种所述化合物的制药组合物和治疗方法。
• Novel steroid-activated nuclear receptors and uses therefor
  申请人：THE SALK INSTITUTE FOR BIOLOGICAL STUDIES

  公开号：EP2036925A1

  公开（公告）日：2009-03-18

  A novel nuclear receptor, termed the steroid and xenobiotic receptor (SXR), a broad-specificity sensing receptor that is a novel branch of the nuclear receptor superfamily, has been discovered. SXR forms a heterodimer with RXR that can bind to and induce transcription from response elements present in steroid-inducible cytochrome P450 genes in response to hundreds of natural and synthetic compounds with biological activity, including therapeutic steroids as well as dietary steroids and lipids. Instead of hundreds of receptors, one for each inducing compound, the invention SXR receptors monitor aggregate levels of inducers to trigger production of metabolizing enzymes in a coordinated metabolic pathway. Agonists and antagonists of SXR are administered to subjects to achieve a variety of therapeutic goals dependent upon modulating metabolism of one or more endogenous steroids or xenobiotics to establish homeostasis. An assay is provided for identifying steroid drugs that are likely to cause drug interaction if administered to a subject in therapeutic amounts. Transgenic animals are als provided which express human SXR, thereby serving as useful models for human response to various agents which poterltially impact P450-dependent metabolic processes.

  人们发现了一种新型核受体，称为类固醇和异生物受体（SXR），它是一种广特异性感应受体，是核受体超家族的一个新分支。SXR 与 RXR 形成异源二聚体，能与类固醇诱导的细胞色素 P450 基因中的反应元件结合并诱导其转录，从而对数百种具有生物活性的天然和合成化合物（包括治疗性类固醇以及膳食类固醇和脂质）做出反应。本发明的 SXR 受体不需要数百种受体（每种诱导化合物一种受体），而是监测诱导剂的总体水平，从而在协调的代谢途径中触发代谢酶的产生。对受试者施用 SXR 的激动剂和拮抗剂，以实现各种治疗目标，这些目标取决于调节一种或多种内源性类固醇或异生物的代谢，从而建立体内平衡。本研究提供了一种检测方法，可用于识别以治疗量给受试者用药时可能引起药物相互作用的类固醇药物。此外，还提供了表达人类 SXR 的转基因动物，从而作为人类对可能影响 P450 依赖性代谢过程的各种药物反应的有用模型。
• MAMMALIAN ARTIFICIAL CHROMOSOME VECTOR COMPRISING HUMAN CYTOCHROME P450 GENE (CLUSTER), AND NON-HUMAN MAMMALIAN ANIMAL RETAINING THE SAME
  申请人：National University Corporation Tottori University

  公开号：EP2218786A1

  公开（公告）日：2010-08-18

  This invention relates to a mammalian artificial chromosome vector, which retains a human chromosome 7 fragment comprising human cytochrome P450 genes and is transmittable to progeny, wherein the human chromosome 7 fragment retains a region of approximately 1 Mb ± 500 Kb in size comprising at least a human CYP3A gene cluster, which region is located between chromosome markers AC004922 and AC073842, and to a non-human mammalian animal retaining the vector.

  本发明涉及一种哺乳动物人工染色体载体，该载体保留了包含人类细胞色素 P450 基因的人类 7 号染色体片段，并可传递给后代，其中人类 7 号染色体片段保留了一个大小约为 1 Mb±500 Kb 的区域，该区域至少包含一个人类 CYP3A 基因簇，该区域位于染色体标记 AC004922 和 AC073842 之间，本发明还涉及保留该载体的非人类哺乳动物。