9-(2-deoxy-2-hydroxymethyl-β-D-erythro-oxetanosyl)guanine | 113269-46-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 9-(2-deoxy-2-hydroxymethyl-β-D-erythro-oxetanosyl)guanine
• 英文别名: 9-((2'R,3'R,4'S)-3',4'-Bis(hydroxymethyl)-2'-oxetanyl)guanine；Oxetanocin G；2-amino-9-[(2R,3R,4S)-3,4-bis(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
• CAS: 113269-46-8
• 化学式: C₁₀H₁₃N₅O₄
• 分子量: 267.244
• InChiKey: BCSLVBZWCFTDPK-UDJQAZALSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  135
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-Aminooxetanocin A 以99%的产率得到
  参考文献：
  名称：

  SIMADA, NOBUESI;XASEHGAVA, SIGEHRU;TOMIDZAVA, TAKAYUKI;SAJTO, SEHJITI;SIB+

  摘要：

  DOI：

文献信息

• Analogs of oxetanyl purines and pyrimidines
  申请人：Abbott Laboratories

  公开号：US05420276A1

  公开（公告）日：1995-05-30

  A compound of the formula: ##STR1## wherein B is a purin-9-yl group or a heterocyclic isostere of a purin-9-yl group; or a pyrimidin-1-yl group or a heterocyclic isostere of a pyrimidin-1-yl group; A is --CH-- or A--G taken together is --C(.dbd.O)--, --C(.dbd.CH.sub.2)--, --C(OH)(CH.sub.2 OH)-- or ##STR2## and G and D are functional groups; or a pharmaceutically acceptable salt or ester thereof.

  一种具有以下结构式的化合物：##STR1## 其中B是嘌呤-9-基团或嘌呤-9-基团的杂环同分异构体；或者是嘧啶-1-基团或嘧啶-1-基团的杂环同分异构体；A是--CH--或A--G一起取--C(.dbd.O)--、--C(.dbd.CH.sub.2)--、--C(OH)(CH.sub.2 OH)--或##STR2##，G和D是功能基团；或其药用可接受的盐或酯。
• Novel phosphonic acid based prodrugs of PMEA and its analogues
  申请人：——

  公开号：US20030229225A1

  公开（公告）日：2003-12-11

  Prodrugs of Formula I, their uses, their intermediates, and their method of manufacture are described: 1 wherein: M and V are cis to one another and MPO 3 H 2 is a phosphonic acid selected from the group consisting of 9-(2-phosphonylmethoxyethyl)adenine, (R)-9-(2-phosphonylmethoxy propyl)adenine, 9-(2-phosphonylmethoxyethyl)guanine, 9-(2-phosphonylmethoxy ethyloxy)adenine, 9-(2-phosphonylmethoxyethyl)-2,6-diaminopurine, (S)-1-(3-hydroxy-2-phosphonylmethoxypropyl)cytosine, (S)-9-(3-hydroxy-2-phosphonylmethoxypropyl)adenine, 9-(3-hydroxy-2-phosphonylmethoxypropyl)guanine, and (S)-9-(3-fluoro-2-phosphonyl methoxypropyl)adenine; V is selected from a group consisting of phenyl, 2-pyridyl, 3-pyridyl, 4-pyridyl, 2-furanyl, 3-furanyl, 2-thienyl, and 3-thienyl, all optionally substituted with 1-3 substituents selected from a group consisting of F, Cl, Br, C1-C3 alkyl, CF 3 and OR 6 ; R6 is selected from the group consisting of C1-C3 alkyl, and CF 3 ; and pharmaceutically acceptable salts thereof.

  公式I的前药、它们的用途、它们的中间体以及它们的制造方法被描述：其中：M和V相对于彼此是顺式的，MPO3H2是从以下组中选择的膦酸，包括9-(2-膦甲氧基乙基)腺嘌呤，(R)-9-(2-膦甲氧基丙基)腺嘌呤，9-(2-膦甲氧基乙基)鸟嘌呤，9-(2-膦甲氧基乙氧基)腺嘌呤，9-(2-膦甲氧基乙基)-2,6-二氨基嘌呤，(S)-1-(3-羟基-2-膦甲氧基丙基)胞嘧啶，(S)-9-(3-羟基-2-膦甲氧基丙基)腺嘌呤，9-(3-羟基-2-膦甲氧基丙基)鸟嘌呤，以及(S)-9-(3-氟-2-膦甲氧基丙基)腺嘌呤；V从以下组中选择，包括苯基，2-吡啶基，3-吡啶基，4-吡啶基，2-呋喃基，3-呋喃基，2-噻吩基和3-噻吩基，所有这些基可选地被1-3个来自F、Cl、Br、C1-C3烷基、CF3和OR6的基替代；R6从C1-C3烷基和CF3的组中选择；以及其药学上可接受的盐。
• Oxetanocin G
  申请人：Nippon Kayaku Kabushiki Kaisha

  公开号：US05164500A1

  公开（公告）日：1992-11-17

  Oxetanocin G which is expectedly useful as an antiviral agent.

  Oxetanocin G预期可用作抗病毒剂。
• Cyclic phosphonic acid based prodrugs of PMEA and its analogues
  申请人：Metabasis Therapeutics, Inc.

  公开号：EP2223927A2

  公开（公告）日：2010-09-01

  This invention discloses a novel method for conjugating macromolecules to other molecular entities. Specifically, this invention discloses a method for conjugating or derivatizing macromolecules, such as oligonucleotides and proteins, using cycloaddition rections, such as the Diels-Alder reaction or 1,3-dipolar cycloadditions. Included in the invention are the novel bioconjugated macromolecules that can be prepared according to the method of the invention.

  本发明公开了一种将大分子与其他分子实体共轭的新方法。具体地说，本发明公开了一种利用环化反应（如 Diels-Alder 反应或 1,3-二极环化反应）使大分子（如寡核苷酸和蛋白质）共轭或衍生化的方法。本发明包括可根据本发明方法制备的新型生物共轭大分子。
• SHIMADA, NOBUYOSHI;HASEGAWA, SHIGERU;SAITO, SEIICHI;NISHIKIORI, TAKAAKI;F+, J. ANTIBIOTICS, 40,(1987) N 12, 1788-1790
  作者：SHIMADA, NOBUYOSHI、HASEGAWA, SHIGERU、SAITO, SEIICHI、NISHIKIORI, TAKAAKI、F+

  DOI：——

  日期：——