Bes-aHyp(Tf)-Tyr(pyrrolidine-1-carbonyl)-OMe | 1541175-27-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Bes-aHyp(Tf)-Tyr(pyrrolidine-1-carbonyl)-OMe
• 英文别名: [4-[(2S)-2-[[(2S,4S)-1-(benzenesulfonyl)-4-(trifluoromethylsulfonyloxy)pyrrolidine-2-carbonyl]amino]-3-methoxy-3-oxopropyl]phenyl] pyrrolidine-1-carboxylate
• CAS: 1541175-27-2
• 化学式: C₂₇H₃₀F₃N₃O₁₀S₂
• 分子量: 677.677
• InChiKey: USZJPFVTHHKBCP-PMVMPFDFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  45
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  182
• 氢给体数：
  1
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  1-(benzyloxycarbonyl-amino)-4,7,10-trioxa-13-tridecanamine 、 Bes-aHyp(Tf)-Tyr(pyrrolidine-1-carbonyl)-OMe 以 四氢呋喃 为溶剂， 以46 mg的产率得到4-((2S)-3-methoxy-3-oxo-2-((2S,4R)-4-((3-oxo-1-phenyl-2,8,11,14-tetraoxa-4-azaheptadecan-17-yl)amino)-1-(phenylsulfonyl)pyrrolidine-2-carboxamido)propyl)phenyl pyrrolidine-1-carboxylate
  参考文献：
  名称：

  Design, synthesis and binding properties of a fluorescent α₉β₁/α₄β₁integrin antagonist and its application as anin vivoprobe for bone marrow haemopoietic stem cells

  摘要：

  一种具有纳摇结合亲和力的荧光α9β1整合素拮抗剂已被证明能够结合骨髓造血干细胞和祖细胞体内。

  DOI：

  10.1039/c3ob42332h
• 作为产物：
  描述：

  N-phenylsulfonyl-trans-4-hydroxy-L-proline 在 偶氮二甲酸二异丙酯 、 N,N-二异丙基乙胺 、 三苯基膦 作用下， 以 二氯甲烷 、 水 、 甲苯 为溶剂， 反应 50.5h， 生成 Bes-aHyp(Tf)-Tyr(pyrrolidine-1-carbonyl)-OMe
  参考文献：
  名称：

  Design, synthesis and binding properties of a fluorescent α₉β₁/α₄β₁integrin antagonist and its application as anin vivoprobe for bone marrow haemopoietic stem cells

  摘要：

  一种具有纳摇结合亲和力的荧光α9β1整合素拮抗剂已被证明能够结合骨髓造血干细胞和祖细胞体内。

  DOI：

  10.1039/c3ob42332h

文献信息

• DISLODGEMENT AND RELEASE OF HSC FROM THE BONE MARROW STEM CELL NICHE USING ALPHA9 INTEGRIN ANTAGONISTS
  申请人：COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION

  公开号：US20170348375A1

  公开（公告）日：2017-12-07

  Haematopoietic stem cell mobilization is a process whereby haematopoietic stem cells are stimulated out of the bone marrow space. Before HSC can mobilize, they must be dislodged and released from the BM stem cell niche in which they reside and are retained by adhesive interactions. Accordingly, in an aspect of the present invention there is provided a method for enhancing dislodgement of HSC and their precursors and progenitors thereof from a BM stem cell binding ligand in vivo or ex vivo, said method comprising administering in vivo or ex vivo an effective amount of an antagonist of an a 9 integrin or an active portion thereof to the BM stem cell niche. Once mobilized to the peripheral blood (PB) the HSC may be collected for transplant. Methods which enhance mobilization of the HSC can also improve treatments of haematological disorders.
• [EN] DISLODGEMENT AND RELEASE OF HSC FROM THE BONE MARROW STEM CELL NICHE USING ALPHA9 INTEGRIN ANTAGONISTS<br/>[FR] DÉTACHEMENT ET LIBÉRATION DE CELLULES SOUCHES HÉMATOPOÏÉTIQUES À PARTIR DE NICHE DE CELLULES SOUCHES DE MOELLE OSSEUSE AU MOYEN D'ANTAGONISTES D'INTÉGRINE ALPHA-9
  申请人：COMMW SCIENT IND RES ORG

  公开号：WO2016090403A1

  公开（公告）日：2016-06-16

  Haematopoietic stem cell mobilization is a process whereby haematopoietic stem cells are stimulated out of the bone marrow space. Before HSC can mobilize, they must be dislodged and released from the BM stem cell niche in which they reside and are retained by adhesive interactions. Accordingly, in an aspect of the present invention there is provided a method for enhancing dislodgement of HSC and their precursors and progenitors thereof from a BM stem cell binding ligand in vivo or ex vivo, said method comprising administering in vivo or ex vivo an effective amount of an antagonist of an α 9 integrin or an active portion thereof to the BM stem cell niche. Once mobilized to the peripheral blood (PB) the HSC may be collected for transplant. Methods which enhance mobilization of the HSC can also improve treatments of haematological disorders.