(1R,4R,7R,9R,10R,13R,15S)-7-[(2S,3R,4R,5S,6S)-6-(hydroperoxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-15-hydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (1R,4R,7R,9R,10R,13R,15S)-7-[(2S,3R,4R,5S,6S)-6-(hydroperoxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-15-hydroxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylic acid
• 化学式: C₃₁H₄₆O₁₉S₂
• 分子量: 786.8
• InChiKey: CYBVQIBJEFQVPD-GWDNDVLHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  52
• 可旋转键数：
  14
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.84
• 拓扑面积：
  313
• 氢给体数：
  6
• 氢受体数：
  19

文献信息

• ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS
  申请人：Borgne-Sanchez Annie

  公开号：US20110086865A1

  公开（公告）日：2011-04-14

  The invention relates to molecules ANT-ligands having a substituted nitrogeneous heterocycle A wherein —A is a substituted pyrazinone of formula I wherein R1 is —(CH 2 ) n —CO—OH; —(CH 2 ) n —CO—OR; —(CH 2 ) n —CO—NHR; —(CH 2 ) n —CO—N(R, R′); —(CH 2 ) n —OH; —(CH 2 ) n —OR; —(CH 2 ) n —OAr; —(CH 2 ) n —C(R,R′) —(CH 2 ) n —OH, R and R′, in the above radicals, being identical or different and representing H or a C1-C12 alkyl or cycloalkyl radical; and Ar is a phenyl or Het., Het. representing an heterocyclic radical with one or several hetero atoms selected between N, S and O, said phenyl or heterocycle being optionally substituted by one or several atoms, groups or radicals selected from halogen atoms such as Cl, Br, I, or halogenated groups such as —CCl 3 or —CF 3 ; one or several —OH, —OR, —COOH or —COOR groups; a phenyl; a linear or branched C1-C12 alkyl radical; —NH—COR; or —CN; said groups occupying the same or different positions on the phenyl or heterocyclic radical; a linear or branched C1-C12 alkyl radical; a linear or branched C2-C12 alkylene radical; —(CH 2 ) n —C3-C6 cycloalkyl radical; —(CH 2 ) n Ar or —(CH 2 ) n Het.; —(CH 2 ) n —NH—CO—R; —(CH 2 ) n —NH 2 ; —(CH 2 ) n —N(R,R′); —(CH 2 ) n —NH—CO—OH; —(CH 2 ) n —NH—CO—OR; —NH—(CH 2 ) n —CO—OH; —NH—(CH 2 ) n —CO—OR; R2 is —(CH 2 ) n -Ar, Ar being such as above defined and being optionally substituted such as above defined; a linear or branched C1-C12 alkyl or C2-C12 alkylene radical with one or several double bonds; —(CH 2 ) n —OH; —(CH 2 ) n —OR; —(CH 2 ) n —CO—Het; —(CH 2 ) n —NH—CO—R; —(CH 2 ) n —NH 2 ; —(CH 2 ) n —N(R,R′); —(CH 2 ) n —CO—OH; —(CH 2 ) n —CO—OR; a linear or branched C1-C12 alkyl radical; —(CH 2 ) n —C(R)=CH—C (R)=CH 2 , R3 forms a phenyl or an heterocyclic condensed group with the two adjacent carbons of the pyrazinone residue, said condensed group being optionally substituted such as above defined for Ar and Het.; and/or condensed to a cyclohexyl or oxanyl group, in turn optionally substituted such as above defined for Ar; n is 0 or an integer from 1 to 5; or A is a substituted pyrazine of formula II wherein R 4 is a —CO—NH—Ar radical, optionally substituted such as above defined; R5 forms a phenyl or heterocyclic group condensed to the two adjacent carbon groups of the pyrazine residue, said phenyl or heterocyclic group being optionally substituted such as above defined, and Ar being such as above defined with respect to formula I or A is a substituted pyridine group of formula III wherein, Ar and R2 are as above defined with respect to formula I.

  该发明涉及具有取代氮杂环A的分子ANT配体，其中—A是具有以下式I的取代吡嗪酮：其中R1是—(CH2)n—CO—OH;—( )n—CO—OR;—( )n—CO—NHR;—( )n—CO—N(R, R′);—( )n—OH;—( )n—OR;—( )n—OAr;—( )n—C(R,R′)—( )n—OH，上述基团中的R和R′相同或不同，代表H或C1-C12烷基或环烷基基团；Ar是苯基或Het.，Het.代表一个杂原子为N、S和O的杂环基团，所述苯基或杂环基团可以选择性地被一个或多个原子、基团或基团取代，所选基团包括卤原子如Cl、Br、I，或卤代基团如—CCl3或—CF3；一个或多个—OH、—OR、—COOH或—COOR基团；苯基；线性或支链的C1-C12烷基基团；—NH—COR；或—CN；这些基团可以占据苯基或杂环基团上的相同或不同位置；线性或支链的C1-C12烷基基团；线性或支链的C2-C12亚烯基基团；—( )n—C3-C6环烷基基团；—( )nAr或—( )nHet.；—( )n—NH—CO—R；—( )n—NH2；—( )n—N(R,R′)；—( )n—NH—CO—OH；—( )n—NH—CO—OR；—NH—( )n—CO—OH；—NH—( )n—CO—OR；R2是—( )n-Ar，Ar如上定义，可以选择性地被如上定义取代；线性或支链的C1-C12烷基或C2-C12亚烯基基团，带有一个或多个双键；—( )n—OH；—( )n—OR；—( )n—CO—Het；—( )n—NH—CO—R；—( )n—NH2；—( )n—N(R,R′)；—( )n—CO—OH；—( )n—CO—OR；线性或支链的C1-C12烷基基团；—( )n—C(R)=CH—C(R)= ；R3形成一个苯基或与吡嗪酮残基的两个相邻碳原子形成杂环的紧凑基团，所述紧凑基团可以选择性地被如上定义的Ar和Het取代；和/或紧凑为一个环己基或氧杂环基团，进一步可以选择性地被如上定义的Ar取代；n为0或1到5的整数；或A是具有以下式II的取代吡嗪：其中R4是一个—CO—NH—Ar基团，可以选择性地被如上定义取代；R5形成一个苯基或杂环基团，紧凑到吡嗪残基的两个相邻碳基团，所述苯基或杂环基团可以选择性地被如上定义取代，Ar如上定义，关于式I的定义；或A是具有以下式III的取代吡啶基团：其中，Ar和R2如上定义，关于式I的定义。
• Methods and compositions for diagnosing and treating arthritic disorders and regulating bone mass
  申请人：Terkeltaub Robert

  公开号：US20070021496A1

  公开（公告）日：2007-01-25

  The present invention relates to improved diagnostic methods for early detection of a risk for developing an arthritic disorder in humans, and screening assays for therapeutic agents useful in the treatment of arthritic disorders, by comparing the levels of one or more indicators of altered mitochondrial function. Indicators of altered mitochondrial function include enzymes such as mitochondrial enzymes and ATP biosynthesis factors. Other indicators of altered mitochondrial function include mitochondrial mass, mitochondrial number and mitochondrial DNA content, cellular responses to elevated intracellular calcium and to apoptogens, and free radical production. Methods of treating, and of stratifying, human patients as such methods relate to disclosed indicators of altered mitchondrial function are also provided.

  本发明涉及改进的诊断方法，用于早期检测人类发展关节炎性疾病风险，并通过比较改变的线粒体功能指标的水平，筛选用于治疗关节炎性疾病的治疗剂的检测方法。改变的线粒体功能指标包括线粒体酶和ATP合成因子等酶。其他改变的线粒体功能指标包括线粒体质量、线粒体数量、线粒体DNA含量、细胞对细胞内钙离子和凋亡原的反应，以及自由基产生。还提供了与披露的改变的线粒体功能指标相关的治疗和分层人类患者的方法。
• Compounds for altering mitochondrial function and cellular responses
  申请人：MitoKor

  公开号：US20020173543A1

  公开（公告）日：2002-11-21

  Compounds for treating diseases by altering mitochondrial function that affects cellular processes, as well as to compositions and methods related thereto. The compounds have the structure 1 wherein R 1 , R 2 , R 3 and A are as defined herein.

  通过改变影响细胞过程的线粒体功能来治疗疾病的化合物，以及与此相关的组合物和方法。这些化合物具有以下结构：其中R1、R2、R3和A的定义如下。
• Production of adenine nucleotide translocator (ANT), novel ANT ligands and screening assays therefor
  申请人：——

  公开号：US20010044144A1

  公开（公告）日：2001-11-22

  Compositions and methods are provided for producing adenine nucleotide translocator (ANT) polypeptides and fusion proteins, including the production and use of recombinant expression constructs having a regulated promoter. ANT ligands and compositions and methods for identifying ANT ligands, agents that bind ANT and agents that interact with ANT are also disclosed.

  本发明提供了用于制备腺嘌呤核苷酸转运蛋白（ANT）多肽和融合蛋白的组合物和方法，包括具有调节启动子的重组表达载体的制备和使用。本发明还公开了ANT配体和用于识别ANT配体、结合ANT的药剂和与ANT相互作用的药剂的组合物和方法。
• PRODUCTION OF ADENINE NUCLEOTIDE TRANSLOCATOR (ANT), NOVEL ANT LIGANDS AND SCREENING ASSAYS THEREFOR
  申请人：Anderson M. Christen

  公开号：US20050003353A1

  公开（公告）日：2005-01-06

  Compositions and methods are provided for producing adenine nucleotide translocator (ANT) polypeptides and fusion proteins, including the production and use of recombinant expression constructs having a regulated promoter. ANT ligands and compositions and methods for identifying ANT ligands, agents that bind ANT and agents that interact with ANT are also disclosed.

  本发明提供了用于生产腺嘌呤核苷转运蛋白（ANT）多肽和融合蛋白的组合物和方法，包括具有调节启动子的重组表达构建的生产和使用。还公开了ANT配体以及用于识别ANT配体、结合ANT的药剂和与ANT相互作用的药剂的组合物和方法。