2-甲基氨基-嘧啶-5-甲醛 | 672307-83-4

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-甲基氨基-嘧啶-5-甲醛
• 英文名称: 2-methylaminopyrimidine-5-carbaldehyde
• 英文别名: 2-Methylamino-pyrimidine-5-carbaldehyde；2-(methylamino)pyrimidine-5-carbaldehyde
• CAS: 672307-83-4
• 化学式: C₆H₇N₃O
• mdl: MFCD07186469
• 分子量: 137.141
• InChiKey: FYDLRGFOAYUXIT-UHFFFAOYSA-N

物化性质

• 沸点：
  305.4±34.0 °C(Predicted)
• 密度：
  1.281±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  54.9
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  2-甲基氨基-嘧啶-5-甲醛 、 (4aR,4bS,6aS,9aS,9bR,11aR)-1,4a,6a-trimethyl-4a,4b,5,6,6a,8,9,9a,9b,10,11,11a-dodecahydro-1H-indeno[5,4-f]quinoline-2,7-dione 在 potassium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 反应 1.0h， 生成 (2E,3aS,3bR,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-2-[[2-(methylamino)pyrimidin-5-yl]methylidene]-3a,3b,4,5,5a,9b,10,11-octahydro-3H-indeno[5,4-f]quinoline-1,7-dione
  参考文献：
  名称：

  Design, Synthesis, and Biological Evaluation of 16-Substituted 4-Azasteroids as Tissue-Selective Androgen Receptor Modulators (SARMs)

  摘要：

  A novel series of 16-substiuted-4-azasteroids has been identified as potential tissue-selective androgen receptor modulators. These ligands display potent hAR binding and agonist activity, low virilizing potential,and good pharmacokinetic profiles in dogs. On the basis of its in vitro profile, 21 was evaluated in the OVX and ORX rat models and exhibited all osteoanabolic, tissue-selective profile.

  DOI：

  10.1021/jm900880r

文献信息

• [EN] PYRAZOLOPYRIMIDINES AS CYCLIN-DEPENDENT KINASE INHIBITORS<br/>[FR] PYRAZOLOPYRIMIDINES TENANT LIEU D'INHIBITEURS DE KINASES DEPENDANTES DE LA CYCLINE
  申请人：SCHERING CORP

  公开号：WO2004022561A1

  公开（公告）日：2004-03-18

  In its many embodiments, the present invention provides a novel class of pyrazolo[1,5-a]pyrimidine compounds as inhibitors of cyclin dependent kinases, methods of preparing such compounds, pharmaceutical compositions containing one or more such compounds, methods of preparing pharmaceutical formulations comprising one or more such compounds, and methods of treatment, prevention, inhibition, or amelioration of one or more diseases associated with the CDKs using such compounds or pharmaceutical compositions.

  在其多种实施方式中，本发明提供了一类新型的吡唑并[1,5-a]嘧啶化合物，作为细胞周期依赖性激酶的抑制剂，以及制备这类化合物的方法，含有一种或多种这类化合物的药物组合物，制备包含一种或多种这类化合物的药物配方的方法，以及利用这类化合物或药物组合物治疗、预防、抑制或改善与CDKs相关的一种或多种疾病的方法。
• Compounds and methods for kinase modulation, and indications therefor
  申请人：Plexxikon Inc.

  公开号：US09096593B2

  公开（公告）日：2015-08-04

  Compounds and salts thereof, formulations thereof, conjugates thereof, derivatives thereof, forms thereof and uses thereof are described. In certain aspects and embodiments, the described compounds or salts thereof, formulations thereof, conjugates thereof, derivatives thereof, or forms thereof are active on Fms protein kinase, or on Fms and Kit protein kinase, or on Fms and Flt-3 protein kinase. Also described are methods of use thereof to treat diseases and conditions, including diseases and conditions associated with activity of Fms protein kinase, Kit protein kinase, or Flt-3 protein kinase including rheumatoid arthritis, osteoarthritis, multiple sclerosis, Alzheimer's disease, Parkinson's disease, glomerulonephritis, interstitial nephritis, Lupus nephritis, tubular necrosis, diabetic nephropathy, renal hypertrophy, acute myeloid leukemia, melanoma, multiple myeloma, metastatic breast cancer, prostate cancer, pancreatic cancer, neurofibromatosis, brain metastases, and gastrointestinal stromal tumors.

  描述了化合物及其盐，制剂，共轭物，衍生物，形式和用途。在某些方面和实施方式中，所述的化合物或其盐，制剂，共轭物，衍生物或形式对Fms蛋白激酶，或对Fms和Kit蛋白激酶，或对Fms和Flt-3蛋白激酶具有活性。还描述了使用方法，用于治疗与Fms蛋白激酶，Kit蛋白激酶或Flt-3蛋白激酶活性相关的疾病和状况，包括类风湿性关节炎，骨关节炎，多发性硬化症，阿尔茨海默病，帕金森病，肾小球肾炎，间质性肾炎，狼疮性肾炎，小管坏死，糖尿病肾病，肾肥大，急性髓性白血病，黑色素瘤，多发性骨髓瘤，转移性乳腺癌，前列腺癌，胰腺癌，神经纤维瘤病，脑转移和胃肠间质瘤。
• COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR
  申请人：Ibrahim Prabha N.

  公开号：US20090286782A1

  公开（公告）日：2009-11-19

  Compounds and salts thereof, formulations thereof, conjugates thereof, derivatives thereof, forms thereof and uses thereof are described. In certain aspects and embodiments, the described compounds or salts thereof, formulations thereof, conjugates thereof, derivatives thereof, forms thereof are active on at least one of Fms protein kinase or Kit protein kinase. Also described are methods of use thereof to treat diseases and conditions, including diseases and conditions associated with activity of Fms protein kinases and/or Kit protein kinases, including rheumatoid arthritis, osteoarthritis, osteoporosis, peri-prosthetic osteolysis, systemic sclerosis, demyelinating disorders, multiple sclerosis, Charcot Marie Tooth syndrome, amyotrophic lateral sclerosis, Alzheimer's disease, Parkinson's disease, ulcerative colitis, Crohn's disease, immune thrombocytopenic purpura, myelopreparation for autologous transplantation, transplant rejection, nephritis, nephropathy, type I diabetes, acute pain, inflammatory pain, neuropathic pain, breast cancer, prostate cancer, pancreatic cancer, lung cancer, ovarian cancer, gliomas, glioblastomas, neurofibromatosis, osteolytic bone metastases, and giant cell tumors.

  描述了化合物及其盐，配方，共轭物，衍生物，形式和用途。在某些方面和实施例中，所述的化合物或其盐，配方，共轭物，衍生物，形式对Fms蛋白激酶或Kit蛋白激酶至少有一种活性。还描述了使用这些方法来治疗疾病和症状，包括与Fms蛋白激酶和/或Kit蛋白激酶活性相关的疾病和症状，包括类风湿关节炎，骨关节炎，骨质疏松症，周围假体周围骨溶解，系统性硬化症，脱髓鞘疾病，多发性硬化症，沙科特-玛丽-屈特综合症，肌萎缩侧索硬化症，阿尔茨海默病，帕金森病，溃疡性结肠炎，克罗恩病，免疫性血小板减少性紫癜，自体移植的骨髓准备，移植排斥反应，肾炎，肾病，I型糖尿病，急性疼痛，炎症性疼痛，神经病性疼痛，乳腺癌，前列腺癌，胰腺癌，肺癌，卵巢癌，神经胶质瘤，胶质母细胞瘤，神经纤维瘤病，骨转移性溶骨病和巨细胞瘤。
• 2′,6′-Dihalostyrylanilines, Pyridines, and Pyrimidines for the Inhibition of the Catalytic Subunit of Methionine S-Adenosyltransferase-2
  作者：Vitaliy M. Sviripa、Wen Zhang、Andrii G. Balia、Oleg V. Tsodikov、Justin R. Nickell、Florence Gizard、Tianxin Yu、Eun Y. Lee、Linda P. Dwoskin、Chunming Liu、David S. Watt

  DOI：10.1021/jm5004864

  日期：2014.7.24

  group attached in a para orientation relative to the 2,6-dihalostyryl subunit, and (3) either an N-methylaniline or a 2-(N,N-dimethylamino)pyridine ring. These modifications led to FIDAS agents that were active in the low nanomolar range, that formed water-soluble hydrochloride salts, and that possessed the desired property of not inhibiting the human hERG potassium ion channel at concentrations at which

  用氟化N，N-二烷基氨基芪（FIDAS 试剂）抑制异二聚体甲硫氨酸 S-腺苷转移酶-2 (MAT2A) 的催化亚基为治疗肝癌和结直肠癌提供了潜在的途径，其中发生了这种酶的上调。对结构-活性关系的研究导致鉴定出活性最强的化合物为 (1) 2,6-二氟苯乙烯基或 2-氯-6-氟苯乙烯基亚基，(2) N-甲氨基或N，N-二甲氨基以相对于 2,6-二卤代苯乙烯亚基的对位方向连接，和 (3) N-甲基苯胺或 2-( N ,N-二甲氨基)吡啶环。这些修饰导致 FIDAS 试剂在低纳摩尔范围内具有活性，形成水溶性盐酸盐，并且在 FIDAS 试剂抑制 MAT2A 的浓度下具有不抑制人 hERG 钾离子通道的所需特性。活性 FIDAS 试剂可以通过改变对癌细胞存活和生长必不可少的甲基化反应来抑制癌细胞。
• Novel pyrazolopyrimidines as cyclin dependent kinase inhibitors
  申请人：Guzi J. Timothy

  公开号：US20070281951A1

  公开（公告）日：2007-12-06

  In its many embodiments, the present invention provides a novel class of pyrazolo[1,5-a]pyrimidine compounds as inhibitors of cyclin dependent kinases, methods of preparing such compounds, compositions containing one or more such compounds, methods of preparing pharmaceutical formulations comprising one or more such compounds, and methods of treatment, prevention, inhibition, or amelioration of one or more diseases associated with the CDKs using such compounds or compositions.

  在其许多实施例中，本发明提供了一种新型的嘧唑并[1,5-a]嘧啶类化合物作为细胞周期依赖性激酶抑制剂，制备这种化合物的方法，含有一种或多种此类化合物的组合物，制备包含一种或多种此类化合物的制药配方的方法，并使用这种化合物或组合物进行一种或多种与CDK相关的疾病的治疗、预防、抑制或改善的方法。