脑苷脂 B | 88642-46-0

• 物质功能分类: 生物化工 - 提取物 - 植物提取物
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 鞘脂
• 中文名称: 脑苷脂 B
• 中文别名: 脑苷脂B
• 英文名称: cerebroside B
• 英文别名: cerebroside；1-O-β-D-glucopyranosyl-2-N-(2'-D-hydroxyhexadecanoyl)-9-methylsphinga-4(E),8(E)-dienine；glucocerebroside；(4E,8E)-N-D-2'-hydroxypalmitoyl-1-O-β-D-glucopyranosyl-9-methyl-4,8-sphingadienine；(2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]hexadecanamide
• CAS: 88642-46-0
• 化学式: C₄₁H₇₇NO₉
• 分子量: 728.064
• InChiKey: YBSQGNFRWZKFMJ-FRJHFHMPSA-N

物化性质

• 熔点：
  188-190 °C
• 沸点：
  876.5±65.0 °C(Predicted)
• 密度：
  1.09±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  51
• 可旋转键数：
  32
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  169
• 氢给体数：
  7
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  脑苷脂 B 在 platinum(IV) oxide 盐酸 、 氢气 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 methyl (R)-2-hydroxyhexadecanoate
  参考文献：
  名称：

  Neuritogenic cerebrosides from an edible chinese mushroom. Part 2††For Part 1, see ref 1.: structures of two additional termitomycesphins and activity enhancement of an inactive cerebroside by hydroxylation

  摘要：

  Termitomycesphins E and F, novel cerebrosides that are hydroxylated around the middle of the long-chain base (LCB), have been isolated from the edible Chinese mushroom Termitomyces albuminosus (Berk.) Heim. ('Jizong' in Chinese) together with termitomycesphins A-D, and shown to induce neuronal differentiation in rat PC12 cells. Their stereostructures have been determined based on their chemical derivatization and spectroscopic analysis. The major cerebroside obtained from the same mushroom was not hydroxylated around the middle of the LCB and was inactive against PC12 cells, suggesting the importance of the extra hydroxyl group on LCB. The Di- and tetrahydroxylation of this inactive cerebroside resulted in the enhancement of its neuritogenic activity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(01)00125-0
• 作为产物：
  描述：

  methyl (R)-2-hydroxyhexadecanoate 在 咪唑 、 盐酸 、 氢氧化钾 、 sodium hydroxide 、 四丁基氟化铵 、 氰化汞 作用下， 以 四氢呋喃 、 吡啶 、 甲醇 、 硝基甲烷 、 乙醇 、 氯仿 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 反应 83.41h， 生成 脑苷脂 B
  参考文献：
  名称：

  Synthesis of (4,8,2,3,2'--2'-hydroxyhexadecanoyl-1--β-D-glucopyranosyl-9-methyl-4,8-sphingadienine, the fruiting-inducing cerebroside in a basidiomycete

  摘要：

  DOI：

  10.1016/s0040-4020(01)96633-5

文献信息

• [EN] DNA-PK INHIBITORS<br/>[FR] INHIBITEURS DE LA PROTÉINE KINASE DÉPENDANTE DE L'ADN
  申请人：VERTEX PHARMA

  公开号：WO2019143678A1

  公开（公告）日：2019-07-25

  The present invention relates to compounds useful as inhibitors of DNA-PK. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various diseases, conditions, or disorders.

  本发明涉及作为DNA-PK抑制剂有用的化合物。该发明还提供了包括所述化合物的药学上可接受的组合物，以及在治疗各种疾病、状况或障碍中使用这些组合物的方法。
• [EN] COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS<br/>[FR] COMPOSÉS DESTINÉS AU TRAITEMENT DE TROUBLES MÉDICAUX
  申请人：ACHILLION PHARMACEUTICALS INC

  公开号：WO2017035360A1

  公开（公告）日：2017-03-02

  Compounds, methods of use, and processes for making inhibitors of complement Factor D comprising Formula (I), or a pharmaceutically acceptable salt or composition thereof The inhibitors described herein target Factor D and inhibit or regulate the complement cascade. The inhibitors of Factor D described herein reduce the excessive activation of complement.

  化合物、使用方法和制备抑制补体因子D的方法，包括式（I）的药用盐或其组合物。本文描述的抑制剂针对因子D并抑制或调节补体级联反应。本文描述的因子D的抑制剂减少了过度激活的补体。
• [EN] ALKYNE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS<br/>[FR] COMPOSÉS ALCYNE POUR LE TRAITEMENT DE TROUBLES IMMUNITAIRES ET INFLAMMATOIRES
  申请人：ACHILLION PHARMACEUTICALS INC

  公开号：WO2017035415A1

  公开（公告）日：2017-03-02

  Compounds, methods of use, and processes for making inhibitors of complement Factor D are provided comprising Formula I, I" and I'" or a pharmaceutically acceptable salt or composition thereof. The inhibitors described herein target Factor D and inhibit or regulate the complement cascade. The inhibitors of Factor D described herein reduce the excessive activation of complement.

  提供含有公式I、I"和I'"的补体因子D抑制剂、使用方法和制备过程，或其药物可接受的盐或组合物。本文所述的抑制剂针对因子D并抑制或调节补体级联反应。本文所述的因子D抑制剂减少了补体的过度激活。
• [EN] ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS<br/>[FR] COMPOSÉS ARYLE, HÉTÉROARYLE, ET HÉTÉROCYCLIQUES POUR LE TRAITEMENT DE TROUBLES IMMUNITAIRES ET INFLAMMATOIRES
  申请人：ACHILLION PHARMACEUTICALS INC

  公开号：WO2017035409A1

  公开（公告）日：2017-03-02

  Compounds, methods of use, and processes for making inhibitors of complement Factor D are provided comprising Formula I, I" and I'" or a pharmaceutically acceptable salt or composition thereof. The inhibitors described herein target Factor D and inhibit or regulate the complement cascade. The inhibitors of Factor D described herein reduces the excessive activation of complement.

  提供含有公式I、I"和I'"的补体因子D抑制剂、使用方法和制备过程，或其药物可接受的盐或组合物。本文所述的抑制剂针对因子D并抑制或调节补体级联反应。本文所述的因子D抑制剂减少了补体的过度激活。
• [EN] NITRIC OXIDE DONORS<br/>[FR] DONNEURS D'OXYDE NITRIQUE
  申请人：MEDCHEM PARTNERS LLC

  公开号：WO2017223182A1

  公开（公告）日：2017-12-28

  The present invention provides, in part a novel class of nonoate compounds which exhibit nitric oxide releasing activity and their pharmaceutically acceptable salts, esters and prodrugs. The compounds release nitric oxide upon activation by contact with plasma. The present invention also relates to the use of the disclosed compounds to deliver nitric oxide to treat disorders arising from nitric oxide dysregulation.

  本发明部分提供了一种新型的非诺酸盐化合物，这些化合物表现出释放一氧化氮的活动，以及它们的药用可接受盐、酯和前药。这些化合物在与血浆接触激活时释放一氧化氮。本发明还涉及使用所披露的化合物来递送一氧化氮，以治疗由一氧化氮失调引起的疾病。