6,6'-iminobis(2,2-dimethyl-1-hexanol) | 615287-86-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 6,6'-iminobis(2,2-dimethyl-1-hexanol)
• 英文别名: 6-(6-hydroxy-5,5-dimethylhexylamino)-2,2-dimethylhexan-1-ol；6-[(6-hydroxy-5,5-dimethylhexyl)amino]-2,2-dimethylhexan-1-ol
• CAS: 615287-86-0
• 化学式: C₁₆H₃₅NO₂
• 分子量: 273.459
• InChiKey: KRGFJELEKNEBOI-UHFFFAOYSA-N

物化性质

• 沸点：
  389.2±27.0 °C(Predicted)
• 密度：
  0.922±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  19
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  52.5
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6,6'-iminobis(2,2-dimethyl-1-hexanol) 在 disodium hydrogenphosphate 、 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 21.0h， 生成 6-[Hydroxy-(6-hydroxy-5,5-dimethyl-hexyl)-amino]-2,2-dimethyl-hexan-1-ol
  参考文献：
  名称：

  Influence of Various Central Moieties on the Hypolipidemic Properties of Long Hydrocarbon Chain Diols and Diacids

  摘要：

  A series of long (11-15) hydrocarbon chain diols and diacids with various central functional groups and terminal gem-dimethyl or -methyl/aryl substituents was synthesized and evaluated in both in vivo and in vitro assays for its potential to favorably alter lipid disorders including metabolic syndrome. Compounds were assessed for their effects on the de novo incorporation of radiolabeled acetate into lipids in primary cultures of rat hepatocytes, as well as for their effects on lipid and glycemic variables in obese female Zucker fatty rats, Crl:(ZUC)-faBR. The most active compounds were hydroxyl-substituted symmetrical diacids and diols with a 13-atom chain and terminal gem-dimethyl substituents. Furthermore, biological activity was enhanced by central substitution with O, C=O, S, S=O compared to the methylene analogues and was diminished for compounds with central functional groups such as carbamate, ester, urea, acetylmethylene, and hydroxymethylene.

  DOI：

  10.1021/jm050650j
• 作为产物：
  描述：

  6-(6-hydroxy-5,5-dimethylhexylamino)-2,2-dimethylhexan-1-ol hydrochloride 在 二氯甲烷 、 氯化钠 、 Sodium sulfate-III 作用下， 以 sodium hydroxide 、 二氯甲烷 为溶剂， 以to afford 6-(6-hydroxy-5,5-dimethylhexylamino)-2,2-dimethylhexan-1-ol (5.55 g, 82%) as an orange, viscous oil的产率得到6,6'-iminobis(2,2-dimethyl-1-hexanol)
  参考文献：
  名称：

  Functionalized long chain derivatives as acyl coenzyme-A mimics, compositions thereof, and methods of cholesterol management and related uses

  摘要：

  本发明涉及新型酰基辅酶A类似物、包含酮类化合物的组合物以及用于治疗和预防心血管疾病、血脂异常、蛋白质异常和葡萄糖代谢紊乱的方法，包括给予含有酮类化合物的组合物。本发明的酰基辅酶A类似物、组合物和方法还可用于治疗和预防阿尔茨海默病、综合征X、过氧化物酶体增殖物激活受体相关疾病、败血症、血栓性疾病、肥胖症、胰腺炎、高血压、肾脏疾病、癌症、炎症、细菌感染和阳痿。在某些实施方式中，本发明的酰基辅酶A类似物、组合物和方法可与其他治疗药物，如降胆固醇和降血糖药物一起用于联合治疗。

  公开号：

  US20030236212A1

文献信息

• MIMICS OF ACYL COENZYME-A, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES
  申请人：Esperion Therapeutics Inc.

  公开号：EP1497247A2

  公开（公告）日：2005-01-19
• TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS
  申请人：The Trustees of Princeton University

  公开号：US20160346309A1

  公开（公告）日：2016-12-01

  Alterations of certain metabolite concentrations and fluxes that occur in response to viral infection are described. Host cell enzymes in the involved metabolic pathways are selected as targets for intervention; i.e., to restore metabolic flux to disadvantage viral replication, or to further derange metabolic flux resulting in “suicide” of viral-infected cells (but not uninfected cells) in order to limit viral propagation. While any of the enzymes in the relevant metabolic pathway can be selected, pivotal enzymes at key control points in these metabolic pathways are preferred as candidate antiviral drug targets. Inhibitors of these enzymes are used to reverse, or redirect, the effects of the viral infection. Drug candidates are tested for antiviral activity using screening assays in vitro and host cells, as well as in animal models. Animal models are then used to test efficacy of candidate compounds in preventing and treating viral infections. The antiviral activity of enzyme inhibitors is demonstrated.
• US9029413B2
  申请人：——

  公开号：US9029413B2

  公开（公告）日：2015-05-12
• US9757407B2
  申请人：——

  公开号：US9757407B2

  公开（公告）日：2017-09-12
• [EN] FUNCTIONALIZED LONG CHAIN DERIVATIVES AS ACYL COENZYME-A MIMICS, COMPOSITIONS THEREOF, AND METHODS OF CHOLESTEROL MANAGEMENT AND RELATED USES<br/>[FR] DERIVES FONCTIONNALISES A CHAINE LONGUE UTILISES COMME MIMIQUES D'ACYL-COENZYME A ET LEURS COMPOSITIONS, METHODES DE REGULATION DU TAUX DE CHOLESTEROL ET UTILISATIONS ASSOCIEES
  申请人：ESPERION THERAPEUTICS INC

  公开号：WO2003087108A2

  公开（公告）日：2003-10-23

  The invention relates to novel Acyl coenzyme-A mimics, compositions comprising ketone compounds, and methods useful for treating and preventing cardiovascular diseases, dyslipidemias, dysproteinemias, and glucose metabolism disorders comprising administering a composition comprising a ketone compound. The Acyl coenzyme-A mimics, compositions, and methods of the invention are also useful for treating and preventing Alzheimer's Disease, Syndrome X, peroxisome proliferator activated receptor-related disorders, septicemia, thrombotic disorders, obesity, pancreatitis, hypertension, renal disease, cancer, inflammation, bacterial infection and impotence. In certain embodiments, the Acyl coenzyme-A mimics, compositions, and methods of the invention are useful in combination therapy with other therapeutics, such as hypocholesterolemic and hypoglycemic agents.