聚(氧代-1,2-乙二基),a-甲基-w-[[3,4,4,4-四氟-2-[1,2,2,2-四氟-1-(三氟甲基)乙基]-1,3-二(三氟甲基)-1-丁烯-1-基]氧代]- | 222631-33-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 中文名称: 聚(氧代-1,2-乙二基),a-甲基-w-[[3,4,4,4-四氟-2-[1,2,2,2-四氟-1-(三氟甲基)乙基]-1,3-二(三氟甲基)-1-丁烯-1-基]氧代]-
• 英文名称: (1R)-1-C-(2-amino-4-hydroxypyrrolo[3,2-d]pyrimidin-7-yl)-1,4-imino-1,2,4-trideoxy-D-erythro-pentitol
• 英文别名: 2-amino-7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
• CAS: 222631-33-6
• 化学式: C₁₁H₁₅N₅O₃
• 分子量: 265.272
• InChiKey: APZQXOCHHXJTPR-QYNIQEEDSA-N

物化性质

• 密度：
  2.01±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  136
• 氢给体数：
  6
• 氢受体数：
  5

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  吡啶,1-[(2,5-二甲基苯基)甲基]-1,2,3,6-四氢-	tert-butyl (6aR,8R,9aS)-8-(2-amino-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-[1,3,5,2,4]trioxadisilocino[7,6-b]pyrrole-7-carboxylate	222854-89-9	C28H49N5O6Si2	607.898
  乙酸,2-(4-氨基-2-甲基苯氧基)-,乙基酯	tert-butyl (6aR,8R,9aS)-8-[4-[[benzamido(methylsulfanyl)methylidene]amino]-5-ethoxycarbonyl-1H-pyrrol-3-yl]-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-[1,3,5,2,4]trioxadisilocino[7,6-b]pyrrole-7-carboxylate	222854-88-8	C38H60N4O8SSi2	789.153
  S-1H-苯并咪唑-2-基[(2-甲氧苯基)氨基]乙硫酸酯	(1R)-1-[3-amino-1-N-benzyloxycarbonyl-2-ethoxycarbonylpyrrol-4-yl]-N-tert-butoxycarbonyl-1,2,4-trideoxy-1,4-imino-3,5-O-(1,1,3,3-tetraisopropyldisiloxa-1,3-diyl)-D-erythro-pentitol	222854-86-6	C37H59N3O9Si2	746.061

反应信息

• 作为产物：
  描述：

  5-O-tert-butyldimethylsilyl-1,N-dehydro-1,4-dideoxy-1,4-imino-2,3-O-isopropylidene-D-ribitol 在 palladium on activated charcoal 咪唑 、 四丁基氟化铵 、 氨 、 氢气 、 三正丁基氢锡 、 sodium acetate 、 溶剂黄146 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 79.0h， 生成 聚(氧代-1,2-乙二基),a-甲基-w-[[3,4,4,4-四氟-2-[1,2,2,2-四氟-1-(三氟甲基)乙基]-1,3-二(三氟甲基)-1-丁烯-1-基]氧代]-
  参考文献：
  名称：

  Synthesis of Transition State Analogue Inhibitors for Purine Nucleoside Phosphorylase and N-Riboside Hydrolases

  摘要：

  Syntheses of the 'Immucillins', potent aza-C-nncleoside inhibitors of purine nucleoside phosphorylase are reported as well as those of 5-deoxy-, 5-deoxyfluoro- and 2-deoxy- analogues and others having modified bases. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(00)00194-0

文献信息

• Compositions for treating or preventing obesity and insulin resistance disorders
  申请人：Sinclair A. David

  公开号：US20060111435A1

  公开（公告）日：2006-05-25

  Provided herein are methods and compositions for modulating the activity or level of a sirtuin, thereby treating or preventing obesity or an insulin resistance disorder, such as diabetes in a subject. Exemplary methods comprise contacting a cell with a sirtuin activating compound or an inhibitory compound to thereby increase or decrease fat accumulation, respectively.

  本文提供了一种调节sirtuin活性或水平的方法和组成物，从而治疗或预防主体的肥胖症或胰岛素抵抗障碍，例如糖尿病。示例方法包括使用sirtuin激活化合物或抑制化合物接触细胞，以此分别增加或减少脂肪积累。
• Inhibitors of nucleoside metabolism
  申请人：——

  公开号：US20020061898A1

  公开（公告）日：2002-05-23

  The present invention provides novel nucleoside-analogue compounds that are effective inhibitors of purine nucleoside phosphorylase (PNP), purine phosphoribosyltransferases (PPRT), and/or nucleoside hydrolases. Also provided are tautomers, esters, prodrugs, and pharmaceutically-acceptable salts of the compounds disclosed herein. The present invention further provides the use of these compounds as pharmaceuticals. The present invention also discloses pharmaceutical compositions containing these compounds. Finally, the present invention provides processes for preparing these compounds.

  本发明提供了新型核苷类似物化合物，它们是嘌呤核苷酸磷酸酶（PNP）、嘌呤磷酸核糖转移酶（PPRT）和/或核苷水解酶的有效抑制剂。此外，还提供了这些化合物的互变异构体、酯、前药和药学上可接受的盐。本发明进一步提供了这些化合物作为药物的用途。本发明还揭示了含有这些化合物的制药组合物。最后，本发明提供了制备这些化合物的过程。
• Methods and compositions for treating flushing and drug induced weight gain
  申请人：Sinclair David

  公开号：US20060276416A1

  公开（公告）日：2006-12-07

  Provided herein are methods and compositions for treating and/or preventing flushing and/or weight gain. Methods may comprise modulating the activity or level of a sirtuin, such as SIRT1 or Sir2. Exemplary embodiments include methods and compositions for counteracting drug-induced weight gain and/or drug-induced flushing by administering a sirtuin-activating compound.

  本文提供了用于治疗和/或预防面部潮红和/或体重增加的方法和组合物。方法可以包括调节sirtuin的活性或水平，例如SIRT1或Sir2。示例实施方式包括通过给予sirtuin激活化合物来抵消药物引起的体重增加和/或药物引起的面部潮红的方法和组合物。
• Novel compositions for preventing and treating neurodegenerative and blood coagulation disorders
  申请人：Milburn Michael

  公开号：US20060276393A1

  公开（公告）日：2006-12-07

  Provided herein are methods and compositions for treating or preventing neurodegenerative disorders or blood coagulation disorders. Methods may comprise modulating the activity or level of a sirtuin, such as SIRT1 or Sir2. Exemplary methods comprise contacting a cell with a sirtuin activating compound, such as a flavone, stilbene, flavanone, isoflavone, catechin, chalcone, tannin or anthocyanidin; or an inhibitory compound, such as nicotinamide.

  本文提供了治疗或预防神经退行性疾病或血液凝固疾病的方法和组合物。方法可以包括调节sirtuin的活性或水平，例如SIRT1或Sir2。示例方法包括使用sirtuin激活化合物（例如黄酮，苯乙烯，黄烷酮，异黄酮，儿茶素，查尔酮，单宁或花青素）或抑制化合物（例如烟酰胺）与细胞接触。
• Treatment of eye disorders with sirtuin modulators
  申请人：Milburn Michael

  公开号：US20060292099A1

  公开（公告）日：2006-12-28

  Sirtuin modulators, particularly sirtuin activators, are useful in treating vision impairment. In general, the sirtuin modulators inhibit the progression of vision impairment resulting from various eye disorders. The invention also includes pharmaceutically acceptable formulations of sirtuin modulators, particular ophthalmically acceptable formulations.

  西图因调节剂，特别是西图因激活剂，对于治疗视力受损很有用。一般来说，西图因调节剂抑制各种眼部疾病导致的视力受损的进展。该发明还包括西图因调节剂的药学可接受配方，特别是眼科可接受配方。