{3-[4-(2-amino-pyrimidin-5-yl)-2-morpholin-4-yl-pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyl-phenyl}-morpholin-4-yl-methanone | 1178564-11-8

• 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-[4-(2-amino-pyrimidin-5-yl)-2-morpholin-4-yl-pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyl-phenyl}-morpholin-4-yl-methanone
• 英文别名: [3-[4-(2-Aminopyrimidin-5-yl)-2-morpholin-4-ylpyrrolo[2,3-d]pyrimidin-7-yl]-4-methylphenyl]-morpholin-4-ylmethanone
• CAS: 1178564-11-8
• 化学式: C₂₆H₂₈N₈O₃
• 分子量: 500.56
• InChiKey: WUZUENXEYTYLBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  37
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  125
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  {3-[4-(2-amino-pyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydro-pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyl-phenyl}-morpholin-4-yl-methanone 在 布纳唑嗪 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 {3-[4-(2-amino-pyrimidin-5-yl)-2-morpholin-4-yl-pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyl-phenyl}-morpholin-4-yl-methanone
  参考文献：
  名称：

  EP2239261

  摘要：

  公开号：

文献信息

• PYRROLOPYRIMIDINE DERIVATIVE AS P13K INHIBITOR AND USE THEREOF
  申请人：Ebiike Hirosato

  公开号：US20100324284A1

  公开（公告）日：2010-12-23

  A preventive or therapeutic agent of a proliferative disease such as cancer, having superior PI3K inhibitory effects, superior cell proliferation inhibitory action as well as superior stability in a body and water solubility, is provided. A compound represented by formula (I): [wherein, Q represents a linking group represented by —X—Y—; X represents a single bond —CO—, —CONH—, —CON(C 1-4 alkyl)-, —CS—, —CSNH—, —CSN(C 1-4 alkyl)-, or —SO 2 —; Y represents a single bond, arylene or heteroarylene; provided that X and Y are not simultaneously single bonds; and R 1 represents —C 0-6 alkylene-(A) m -C 1-6 alkyl, or C 0-6 alkylene-(A) m -C 0-6 alkylene-(heterocycle)] or a pharmaceutically acceptable salt thereof.

  提供了一种预防或治疗增殖性疾病（如癌症）的药物，具有优越的PI3K抑制作用、优越的细胞增殖抑制作用以及在体内具有优越的稳定性和水溶性。该化合物的式子为（I）：[其中，Q表示由—X—Y—表示的连接基；X表示单键—CO—、—CONH—、—CON（C1-4烷基）-、—CS—、—CSNH—、—CSN（C1-4烷基）-或—SO2—；Y表示单键、芳基或杂芳基；但X和Y不能同时为单键；R1表示—C0-6烷基-(A)m-C1-6烷基，或C0-6烷基-(A)m-C0-6烷基-(杂环)]或其药学上可接受的盐。
• PYRROLOPYRIMIDIN DERIVATIVE FOR USE AS PI3K INHIBITOR, AND USE THEREOF
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：EP2239261A1

  公开（公告）日：2010-10-13

  A preventive or therapeutic agent of a proliferative disease such as cancer, having superior PI3K inhibitory effects, superior cell proliferation inhibitory action as well as superior stability in a body and water solubility, is provided. A compound represented by formula (I): [wherein, Q represents a linking group represented by -X-Y-; X represents a single bond -CO-, -CONH-, -CON(C1-4 alkyl)-, -CS-, -CSNH-, -CSN(C1-4 alkyl)-, or -SO2-; Y represents a single bond, arylene or heteroarylene; provided that X and Y are not simultaneously single bonds; and R1 represents -C0-6 alkylene-(A)m-C1-6 alkyl, or C0-6 alkylene-(A)m-C0-6 alkylene-(heterocycle)] or a pharmaceutically acceptable salt thereof.

  本发明提供了一种癌症等增殖性疾病的预防或治疗剂，它具有优异的 PI3K 抑制作用、优异的细胞增殖抑制作用以及优异的体内稳定性和水溶性。 由式（I）代表的化合物： [其中，Q 代表-X-Y-代表的连接基团；X 代表单键-CO-、-CONH-、-CON(C1-4 烷基)-、-CS-、-CSNH-、-CSN(C1-4 烷基)-或-SO2-；Y 代表单键、芳基或杂芳基；条件是 X 和 Y 不是同时为单键；以及 R1 代表-C0-6 亚烷基-(A)m-C1-6 烷基，或 C0-6 亚烷基-(A)m-C0-6 亚烷基-(杂环)]。 或其药学上可接受的盐。
• Synthetic Fusion Peptides of Tick-Borne Encephalitis Virus as Models for Membrane Fusion
  作者：Jinhe Pan、C. Benjamin Lai、Walter R. P. Scott、Suzana K. Straus

  DOI：10.1021/bi9017895

  日期：2010.1.19

  The fusion peptide of TBEV is a short segment of the envelope protein that mediates viral and host cell membrane fusion at acidic pH. Previous studies oil the E protein have shown that mutations at L107 have an effect on fusogenic activity. Structural studies have also suggested that during the fusion process the E protein rearranges to form a trimer. In the present study, a number of short peptides were synthesized, and their structure/activity was examined: (1) monomers consisting of residues 93-113 of the wild-type E protein with Leu at position 107 (WT) and two mutants, namely, L107F and L107T; (2) a monomer consisting of residues 93-113 of the E protein witha C105A mutation (TFPmn); (3) a trimer consisting of three monomers described in (2), linked at the C-terminus via 1 Lys (TFPtr); (4) a monomer consisting of residues 93-113 of the E protein plus six additional Lys at the C-terminus; and (5) a trimer consisting of three monomers described in (3), linked via the side chain of the sixth lysine. The secondary structure content of all peptides was investigated using circular dichroism (CD). Approximately seven of the residues were in P-strand conformation, in the presence of POPC/POPE/cholesterol. The structures did not depend on pH significantly. The fusogenicity of the peptides was measured by FRET and photon correlation spectroscopy. The data suggest that TFPtr is the most fusogenic at acidic pH and that the mutation from L107 to T reduces activity. Molecular dynamics simulations of WT, L107T, and L107F suggest that this reduction in activity may be related to the fact that the mutations disrupt trimer stability. Finally, tryptophan fluorescence experiments were used to localize the peptides in the membrane. It was found that WT, L107F, TFPmn, and TFPtr could penetrate better into the acyl chain region of the lipids than the other peptides tested. The implications of these results on the fusion mechanism of TBEV E protein will be presented.
• [EN] PYRROLOPYRIMIDIN DERIVATIVE FOR USE AS PI3K INHIBITOR, AND USE THEREOF<br/>[FR] DÉRIVÉ DE PYRROLOPYRIMIDINE DESTINÉ À ÊTRE UTILISÉ COMME INHIBITEUR DE PI3K ET SON UTILISATION
  申请人：CHUGAI PHARMACEUTICAL CO LTD

  公开号：WO2009099163A1

  公开（公告）日：2009-08-13

  優れたＰＩ３Ｋ阻害効果を有し、細胞増殖阻害作用を有するとともに、体内における安定性及び水溶解性に優れる、増殖性疾患、たとえば癌の予防又は治療剤を提供する。 式（Ｉ）： ［式中、Ｑは、－Ｘ－Ｙ－で表される連結基を表し；Ｘは、単結合、－ＣＯ－、－ＣＯＮＨ－、－ＣＯＮ（Ｃ１－４アルキル）－、－ＣＳ－、－ＣＳＮＨ－、－ＣＳＮ（Ｃ１－４アルキル）－、又は－ＳＯ２－を表し；Ｙは、単結合、アリーレン、又はヘテロアリーレンを表し；但し、ＸとＹが、同時に単結合であることはなく；Ｒ１は、－Ｃ０－６アルキレン－（Ａ）ｍ－Ｃ１－６アルキル、又は－Ｃ０－６アルキレン－（Ａ）ｍ－Ｃ０－６アルキレン－（ヘテロ環）を表す］ で表される化合物又はその医薬的に許容される塩。
• EP2239261
  申请人：——

  公开号：——

  公开（公告）日：——