3-(pyrimidin-2-ylamino)propan-1-ol | 959052-29-0

• 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: 3-(pyrimidin-2-ylamino)propan-1-ol
• 英文别名: 2-(3-Hydroxypropylamino)pyrimidine
• CAS: 959052-29-0
• 化学式: C₇H₁₁N₃O
• mdl: MFCD11115499
• 分子量: 153.184
• InChiKey: UGINZIMBMPFQHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  58
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-(pyrimidin-2-ylamino)propan-1-ol 、 t-butyl meta-nitro-N-[3-(trifluoromethyl)phenylsulfonyl]-L-tyrosinate 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 以22%的产率得到(S)-t-butyl 3-(3-nitro-4-(3-(pyrimidin-2-ylamino)propoxy)phenyl)-2-(3-(trifluoromethyl)phenylsulfonamido)propionate
  参考文献：
  名称：

  α_vβ₃ Integrin-Targeting Arg-Gly-Asp (RGD) Peptidomimetics Containing Oligoethylene Glycol (OEG) Spacers

  摘要：

  RGD peptides are used in biomaterials science for surface modifications with a view to elicit selective cellular responses. Our objective is to replace peptides by small peptidomimetics acting similarly. We designed novel molecules targeting alpha(v)beta(3) integrin and featuring spacer-arms (for surface grafting), which do not disturb the biological activity, from (L) N-(3-(trifluoromethyl)benzenesulfonyl) tyrosine used as scaffold. Various Arg-mimics were fixed on the phenol function, and the ortho position was used for the Coupling of OEG spacers. All peptidomimetics were active in the nM range in a binding test toward human alpha(v)beta(3) integrin (IC50 = 0.1 to 1.7 nM) and selective versus platelet integrin alpha(IIb)beta(3) Selected compounds revealed excellent ability to inhibit bone cells adhesion on vitronectin. Modeling and docking studies were performed for comparing the most active RGD peptidomimetic to cilengitide, i.e., cyclo-[RGDfN(Me)V]-. Lastly, the adhesion of endothelial cells on a cultivation support grafted with RGD peptidomimetics was significantly improved.

  DOI：

  10.1021/jm901133z
• 作为产物：
  描述：

  2-氯嘧啶 、 3-氨基-1-丙醇 在 三乙胺 作用下， 以 正丁醇 为溶剂， 反应 1.0h， 以87%的产率得到3-(pyrimidin-2-ylamino)propan-1-ol
  参考文献：
  名称：

  对官能化的环状和双环N-芳基胺的Mitsunobu反应

  摘要：

  研究了意外的Mitsunobu环化以制备富含N-芳基化的F sp 3的氮杂环的范围。在当前的研究中，我们已经确定是否正在运行p Ka依赖的Mitsunobu环脱水或p Ka依赖的Mitsunobu分子内反应。Mitsunobu反应，产生离去基团，随后帧内分子亲核置换被确定为主要的途径。

  DOI：

  10.1016/j.tetlet.2017.12.017

文献信息

• [EN] DNA-PK INHIBITING COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS DE L'ADN-PK
  申请人：PROVINCIAL HEALTH SERVICES AUTHORITY

  公开号：WO2021050059A1

  公开（公告）日：2021-03-18

  The present disclosure relates to DNA-PK inhibiting compounds and prodrugs thereof that are useful in the treatment of diseases, including cancer. In particular, the compounds sensitise cancers to therapies such as chemotherapy and radiotherapy.

  本公开涉及DNA-PK抑制化合物及其前药，它们可用于治疗包括癌症在内的疾病。特别是，这些化合物能够增强癌症对化疗和放疗等疗法的敏感性。
• SUBSTITUTED PYRAZOLO[1,5-a] PYRIDINE COMPOUNDS HAVING MULTI-TARGET ACTIVITY
  申请人：GAETA Federico C.A.

  公开号：US20110039873A1

  公开（公告）日：2011-02-17

  The substituted pyrazolo[1,5-a]pyridine compounds in accordance with Formula 1 are strong inhibitors of phosphodiesterase and c-Jun N-terminal kinase activity. Accordingly, Formula 1 compounds are candidate therapeutics for treating disease states such as cancer, neuropathic pain, inflammation as well as cognitive disorders such as Parkinson's Disease.
• LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT
  申请人：Chi Mei Corporation

  公开号：US20170152443A1

  公开（公告）日：2017-06-01

  A liquid crystal alignment agent allowing formation of an LCD element having good reliability and less residual image, a liquid crystal alignment film, and an LCD element having the liquid crystal alignment film are shown. The liquid crystal alignment agent includes a polymer (A), a photosensitive polysiloxane (B), and a solvent (C). The polymer (A) is obtained by reacting a mixture that includes a tetracarboxylic dianhydride component (a-1) and a diamine component (a-2). The photosensitive polysiloxane (B) is obtained by reacting a polysiloxane (b-1) having an epoxy group with a cinnamic acid derivative (b-2) and an aromatic heterocyclic derivative (b-3) containing nitride, oxide or sulfide.
• [EN] SUBSTITUTED PYRAZOLO [1,5-a] PYRIDINE COMPOUNDS HAVING MULTI-TARGET ACTIVITY<br/>[FR] COMPOSÉS DE PYRAZOLO[1,5-A]PYRIDINE SUBSTITUÉS À ACTIVITÉ MULTICIBLÉE
  申请人：GAETA FEDERICO C A

  公开号：WO2010144416A1

  公开（公告）日：2010-12-16

  The substituted pyrazolo[1,5-a]pyridine compounds in accordance with Formula 1 are strong inhibitors of phosphodiesterase and c-Jun N-terminal kinase activity. Accordingly, Formula 1 compounds are candidate therapeutics for treating disease states such as cancer, neuropathic pain, inflammation as well as cognitive disorders such as Parkinson's Disease.
• α_vβ₃ Integrin-Targeting Arg-Gly-Asp (RGD) Peptidomimetics Containing Oligoethylene Glycol (OEG) Spacers
  作者：Vincent Rerat、Georges Dive、Alex A. Cordi、Gordon C. Tucker、Reine Bareille、Joëlle Amédée、Laurence Bordenave、Jacqueline Marchand-Brynaert

  DOI：10.1021/jm901133z

  日期：2009.11.26

  RGD peptides are used in biomaterials science for surface modifications with a view to elicit selective cellular responses. Our objective is to replace peptides by small peptidomimetics acting similarly. We designed novel molecules targeting alpha(v)beta(3) integrin and featuring spacer-arms (for surface grafting), which do not disturb the biological activity, from (L) N-(3-(trifluoromethyl)benzenesulfonyl) tyrosine used as scaffold. Various Arg-mimics were fixed on the phenol function, and the ortho position was used for the Coupling of OEG spacers. All peptidomimetics were active in the nM range in a binding test toward human alpha(v)beta(3) integrin (IC50 = 0.1 to 1.7 nM) and selective versus platelet integrin alpha(IIb)beta(3) Selected compounds revealed excellent ability to inhibit bone cells adhesion on vitronectin. Modeling and docking studies were performed for comparing the most active RGD peptidomimetic to cilengitide, i.e., cyclo-[RGDfN(Me)V]-. Lastly, the adhesion of endothelial cells on a cultivation support grafted with RGD peptidomimetics was significantly improved.