5-(benzyloxy)-7-{[(1R)-1-(hydroxymethyl)butyl]amino}[1,3]thiazolo[4,5-d]pyrimidin-2(3H)-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-(benzyloxy)-7-{[(1R)-1-(hydroxymethyl)butyl]amino}[1,3]thiazolo[4,5-d]pyrimidin-2(3H)-one
• 英文别名: 7-[[(2R)-1-hydroxypentan-2-yl]amino]-5-phenylmethoxy-3H-[1,3]thiazolo[4,5-d]pyrimidin-2-one
• 化学式: C₁₇H₂₀N₄O₃S
• 分子量: 360.437
• InChiKey: BDFHCCSVGZKUGG-GFCCVEGCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  25
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  122
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-(benzylsulfonyl)-7-{[(1R)-1-(hydroxymethyl)butyl]amino}[1,3]thiazolo[4,5-d]pyrimidin-2(3H)-one 、 苯甲醇 在 sodium hydride 作用下， 以 苯 为溶剂， 反应 0.83h， 以52.7%的产率得到5-(benzyloxy)-7-{[(1R)-1-(hydroxymethyl)butyl]amino}[1,3]thiazolo[4,5-d]pyrimidin-2(3H)-one
  参考文献：
  名称：

  [EN] NEW 2-SUBSTITUTED, 4-AMINO-THIAZOLO[4,5-D] PYRIMIDINES, USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS, ESP. CX3CR1
  [FR] NOUVELLES 4-AMINO-THIAZOLO[4,5-D] PYRIMIDINES SUBSTITUEES EN 2, UTILES COMME ANTAGONISTES DU RECEPTEUR CHIMIOKINE, NOTAMMENT CX3CR1

  摘要：

  已披露了化合物的新型结构，其化学式为(I)，其中A、R1、R2、R3和X如规范中所定义，以及其药用盐，以及它们的制备方法、包含它们的药物组合物以及它们在治疗中的应用。化合物的化学式(I)是CX3CR1受体拮抗剂，因此在神经退行性疾病、脱髓鞘疾病、动脉粥样硬化和疼痛的治疗或预防中特别有用。

  公开号：

  WO2005033115A1

文献信息

• Methods of Inhibiting Metastasis from Cancer
  申请人：Salvino Joseph M.

  公开号：US20120141471A1

  公开（公告）日：2012-06-07

  The present invention includes compositions that are useful in preventing or treating metastasis in a subject diagnosed with cancer. The present invention also includes methods of preventing or treating metastasis in a subject diagnosed with cancer, wherein the method comprises administering to the subject in need thereof an effective amount of a pharmaceutical formulation comprising at least one pharmaceutically acceptable carrier and at least one CX 3 CR1 or fractalkine antagonist.

  本发明涉及一种用于预防或治疗被诊断为癌症的患者中的转移的组合物。本发明还包括一种用于预防或治疗被诊断为癌症的患者中的转移的方法，其中该方法包括向需要该药物的患者投与至少一种药用制剂，该制剂包括至少一种药用载体和至少一种CX3CR1或fractalkine拮抗剂的有效量。
• New 2-substituted, 4-amino-thiazolo[4,5-d] pyrimidines, useful as chemokine receptor antagonists, esp. cx3cr1
  申请人：Nordvall Gunnar

  公开号：US20070142386A1

  公开（公告）日：2007-06-21

  There are disclosed novel compounds of formula (I) wherein A, R 1 , R 2 , R 3 and X are as defined in the specification, and pharmaceutically acceptable salts thereof, together with processes for their preparation, pharmaceutical compositions comprising them and their use in therapy. The compounds of formula (I) are CX 3 CR1 receptor antagonists and are thereby particularly useful in the treatment or prophylaxis of neurodegenerative disorders, demyelinating disease, atherosclerosis and pain.

  本发明公开了化合物(I)的新型化合物，其中A，R1，R2，R3和X如规范中所定义，并且其药学上可接受的盐，以及其制备方法，包括它们的制药组合物和它们在治疗中的应用。化合物(I)是CX3CR1受体拮抗剂，因此在神经退行性疾病，脱髓鞘性疾病，动脉粥样硬化和疼痛的治疗或预防中特别有用。
• Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same
  申请人：Drexel University College of Medicine Philadelphia Health & Education Corporation d/b/a

  公开号：US20130156761A1

  公开（公告）日：2013-06-20

  The present invention includes compositions that are useful in preventing or treating metastasis in a subject diagnosed with cancer. The present invention also includes methods of preventing or treating metastasis in a subject diagnosed with cancer, wherein the method comprises administering to the subject in need thereof an effective amount of a pharmaceutical formulation comprising at least one pharmaceutically acceptable carrier and at least one CX 3 CR1 or fractalkine antagonist.

  本发明涉及一种对已被诊断患有癌症的受试者预防或治疗转移的有用组合物。本发明还涉及一种预防或治疗已被诊断患有癌症的受试者的转移的方法，其中该方法包括向需要该药物的受试者施用至少一种药物制剂，该药物制剂包括至少一种药用载体和至少一种CX3CR1或fractalkine拮抗剂的有效量。
• Compounds useful for inhibiting metastasis from cancer and methods using same
  申请人：Drexel University

  公开号：US10414771B2

  公开（公告）日：2019-09-17

  The present invention includes compositions that are useful in preventing or treating metastasis in a subject diagnosed with cancer. The present invention also includes methods of preventing or treating metastasis in a subject diagnosed with cancer, wherein the method comprises administering to the subject in need thereof an effective amount of a pharmaceutical formulation comprising at least one pharmaceutically acceptable carrier and at least one CX3CR1 or fractalkine antagonist.

  本发明包括可用于预防或治疗确诊癌症患者转移的组合物。本发明还包括预防或治疗被诊断患有癌症的受试者的转移的方法，其中该方法包括向需要该方法的受试者施用有效量的药物制剂，该药物制剂包含至少一种药学上可接受的载体和至少一种CX3CR1或fractalkine拮抗剂。
• US8435993B2
  申请人：——

  公开号：US8435993B2

  公开（公告）日：2013-05-07