2-(4-吗啉基)-4,6-嘧啶二胺 | 122324-16-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-(4-吗啉基)-4,6-嘧啶二胺
• 英文名称: 2-morpholino-pyrimidine-4,6-diyldiamine
• 英文别名: 2-Morpholino-pyrimidin-4,6-diyldiamin；2-morpholin-4-yl-pyrimidine-4,6-diamine；2-(4-Morpholinyl)-4,6-pyrimidinediamine；2-morpholin-4-ylpyrimidine-4,6-diamine
• CAS: 122324-16-7
• 化学式: C₈H₁₃N₅O
• mdl: MFCD09438668
• 分子量: 195.224
• InChiKey: LFNINLGZOWXWNB-UHFFFAOYSA-N

物化性质

• 沸点：
  503.2±60.0 °C(Predicted)
• 密度：
  1.358±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  90.3
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2-(4-吗啉基)-4,6-嘧啶二胺 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 生成 4-Amino-5,8-dihydro-2-morpholino-7-phenyl-5-(3,4,5-trimethoxyphenyl)-pyrido<2,3-d>pyrimidin-6-carbonitril
  参考文献：
  名称：

  甲氧苄啶部分结构的吡啶并[2, 3-d]嘧啶的制备

  摘要：

  2-氨基烟炔腈6和8可以由烯酮和原位制备的3,3-二氨基丙烯腈2制备。使用 N, N-二甲基甲酰胺二乙缩醛 (DMF-DEA) 和氨水，8 可环化为 5,8-二氢-吡啶并嘧啶 12。Micheal 加合物可从三氨基嘧啶 13 A-C 和烯酮 16 a-c 获得，它们可以环化为 5, 8-二氢吡啶并 [2,3-d] 嘧啶-2,4-二胺。

  DOI：

  10.1002/ardp.19893220509
• 作为产物：
  描述：

  吗啉-4-羧酰胺 、 丙二腈 在 sodium ethanolate 作用下， 生成 2-(4-吗啉基)-4,6-嘧啶二胺
  参考文献：
  名称：

  Andrews et al., Journal of the Chemical Society, 1949, p. 2490,2494

  摘要：

  DOI：

文献信息

• [EN] IMIDAZOPYRIDINE OR IMIDAZOPYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE 10A INHIBITORS<br/>[FR] DÉRIVÉS D'IMIDAZOPYRIDINE OU D'IMIDAZOPYRIMIDINE EN TANT QU'INHIBITEURS DE PHOSPHODIESTÉRASE 10A
  申请人：HOFFMANN LA ROCHE

  公开号：WO2011036127A1

  公开（公告）日：2011-03-31

  The invention is concerned with novel imidazopyridine derivatives of formula (I) wherein R1, R2, R3, R4, R5 and A are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds inhibit PDE10A and can be used as medicaments.

  这项发明涉及式（I）的新型咪唑吡啶衍生物，其中R1、R2、R3、R4、R5和A如描述和权利要求中定义，并且其生理上可接受的盐和酯。这些化合物抑制PDE10A并可用作药物。
• [EN] NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES CONTENANT DE L'AZOTE COMME INHIBITEURS DE PI3K-DELTA
  申请人：AMGEN INC

  公开号：WO2012003264A1

  公开（公告）日：2012-01-05

  Substituted bicyclic heteroaryls of the following formulae and compositions containing them, for the treatment of general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, including but not restricted to autoimmune diseases such as systemic lupus erythematosis (SLE), myestenia gravis, rheumatoid arthritis, acute disseminated encephalomyelitis, idiopathic thrombocytopenic purpura, multiples sclerosis, Sjoegren's syndrome and autoimmune hemolytic anemia, allergic conditions including all forms of hypersensitivity, The present invention also enables methods for treating cancers that are mediated, dependent on or associated with p110 activity, including but not restricted to leukemias, such as Acute Myeloid leukaemia (AML) Myelo-dysplastic syndrome (MDS) myelo-proliferative diseases (MPD) Chronic Myeloid Leukemia (CML) T-cell Acute Lymphoblastic leukaemia ( T-ALL) B-cell Acute Lymphoblastic leukaemia (B-ALL) Non Hodgkins Lymphoma (NHL) B-cell lymphoma and solid tumors, such as breast cancer.

  以下化合物的替代双环杂环芳基，用于治疗一般炎症、关节炎、风湿性疾病、骨关节炎、炎症性肠道疾病、炎症性眼部疾病、炎症性或不稳定膀胱疾病、牛皮癣、伴有炎症成分的皮肤疾病、慢性炎症性疾病，包括但不限于自身免疫性疾病，如系统性红斑狼疮（SLE）、重症肌无力、类风湿关节炎、急性播散性脑脊髓炎、特发性血小板减少性紫癜、多发性硬化症、Sjoegren综合征和自身免疫性溶血性贫血，包括所有形式的过敏反应，本发明还提供了治疗依赖或与p110活性相关的癌症的方法，包括但不限于介导的白血病，如急性髓系白血病（AML）、骨髓增生异常综合征（MDS）、骨髓增生性疾病（MPD）、慢性髓系白血病（CML）、T细胞急性淋巴细胞白血病（T-ALL）、B细胞急性淋巴细胞白血病（B-ALL）、非霍奇金淋巴瘤（NHL）、B细胞淋巴瘤和实体肿瘤，如乳腺癌。
• NOVEL IMIDAZOPYRIDINES
  申请人：Alberati Daniela

  公开号：US20110071128A1

  公开（公告）日：2011-03-24

  The invention is concerned with novel imidazopyridine derivatives of formula (I) wherein R 1 , R 2 , R 3 , R 4 , R 5 and A are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds inhibit PDE10A and can be used for the treatment of various diseases, including central nervous system disorders such as Alzheimer's disease, Parkinson's disease, and schizophrenia.

  这项发明涉及公式(I)的新型咪唑吡啶衍生物，其中R1、R2、R3、R4、R5和A的定义如描述和权利要求中所述，以及其生理上可接受的盐和酯。这些化合物抑制PDE10A，可用于治疗各种疾病，包括中枢神经系统疾病，如阿尔茨海默病、帕金森病和精神分裂症。
• 2,4-Diamino-9H-pyrimido[4,5-b]indol-5-ols: Synthesis, in vitro cytotoxic activity, and QSAR investigations
  作者：Bernd Dotzauer、Renate Grünert、Patrick J. Bednarski、Harald Lanig、Jens Landwehr、Reinhard Troschütz

  DOI：10.1016/j.bmc.2006.06.051

  日期：2006.11

  A series of novel 2,4-diaminopyrimido[4,5-b]indol-6-ols has been synthesized and the in vitro cytotoxic activities were evaluated against four human cancer cell lines originating from solid tumors. An increase in activity was observed when a heteroaromatic ring was annulated on side g of the pyrimido[4,5-b]indole system to give compounds with activities comparable to ellipticine and cisplatin. To understand

  合成了一系列新颖的2,4-二氨基嘧啶[4,5-b]吲哚6-醇，并针对四种源自实体瘤的人类癌细胞系评估了体外细胞毒活性。当在嘧啶并[4，5-b]吲哚系统的g侧上环杂芳环时，观察到活性增加，从而得到具有与玫瑰树碱和顺铂相当的活性的化合物。为了了解实验性细胞毒性活性，进行了QSAR研究，结果表明实验性IC和预测IC之间具有很好的线性关系（50）。
• Imidazopyridines
  申请人：Hoffmann-La Roche Inc.

  公开号：US08017604B2

  公开（公告）日：2011-09-13

  The invention is concerned with novel imidazopyridine derivatives of formula (I) wherein R1, R2, R3, R4, R5 and A are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds inhibit PDE10A and can be used for the treatment of various diseases, including central nervous system disorders such as Alzheimer's disease, Parkinson's disease, and schizophrenia.

  该发明涉及式（I）的新型咪唑吡啶衍生物，其中R1、R2、R3、R4、R5和A如说明书和权利要求中所定义，以及其生理学上可接受的盐和酯。这些化合物抑制PDE10A，并可用于治疗各种疾病，包括中枢神经系统疾病，如阿尔茨海默病、帕金森病和精神分裂症。