2-(PYRIMIDIN-4-YL)ACETALDEHYDE | 120455-87-0

• 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: 2-(PYRIMIDIN-4-YL)ACETALDEHYDE
• 英文别名: 4-Pyrimidineacetaldehyde；2-pyrimidin-4-ylacetaldehyde
• CAS: 120455-87-0
• 化学式: C₆H₆N₂O
• 分子量: 122.126
• InChiKey: LMQNJOUKPHWTCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  42.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(PYRIMIDIN-4-YL)ACETALDEHYDE 、 3-氨基-4-环己基氨基苯甲酸乙酯 在 三乙酰氧基硼氢化钠 作用下， 以 反-1,2-二氯乙烯 为溶剂， 反应 18.0h， 以92%的产率得到ethyl 4-(cyclohexylamino)-3-(pyrimidin-4-ylmethylamino)benzoate
  参考文献：
  名称：

  Ferrostatins Inhibit Oxidative Lipid Damage and Cell Death in Diverse Disease Models

  摘要：

  Ferrostatin-1 (Fer-1) inhibits ferroptosis, a form of regulated, oxidative, nonapoptotic cell death. We found that Fer-1 inhibited cell death in cellular models of Huntington's disease (HD), periventricular leukomalacia (PVL), and kidney dysfunction; Fer-1 inhibited lipid peroxidation, but not mitochondrial reactive oxygen species formation or lysosomal membrane permeability. We developed a mechanistic model to explain the activity of Fer-1, which guided the development of ferrostatins with improved properties. These studies suggest numerous therapeutic uses for ferrostatins, and that lipid peroxidation mediates diverse disease phenotypes.

  DOI：

  10.1021/ja411006a

文献信息

• [EN] 1-(4-(ISOXAZOL-5-YL)-1H-PYRAZOL-1-YL)-2-METHYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS IL-17 AND IFN-GAMMA INHIBITORS FOR TREATING AUTOIMMUNE DISEASES AND CHRONIC INFLAMMATION<br/>[FR] DÉRIVÉS DE 1-(4-(ISOXAZOL-5-YL)-1 H-PYRAZOL-1-YL)-2-MÉTHYLPROPAN-2-OL ET COMPOSÉS APPARENTÉS EN TANT QU'INHIBITEURS D'IL-17 ET D'IFN-GAMMA POUR LE TRAITEMENT DE MALADIES AUTO-IMMUNES ET D'UNE INFLAMMATION CHRONIQUE
  申请人：IMMUNIC AG

  公开号：WO2019048541A1

  公开（公告）日：2019-03-14

  The present invention relates to compounds of the general formula (I), and the pharmaceutically acceptable salts and solvates thereof, wherein Ar, Z and Y are as described herein and R1 is a group of the structure (formula (II)), wherein n is 0 or 1; R2 is H, deuterium or methyl; R3 is methyl, trilluoromethyl, ethyl, or taken with R2 together forms a cyclopropyl group, or R3 forms a methylene bridge to the carbon atom marked *, which are suitable for the treatment of autoimmune diseases and chronic inflammation.

  本发明涉及具有通用公式（I）的化合物，以及其中Ar、Z和Y如本文所述的药用可接受盐和溶剂化物，其中R1是具有结构（公式（II））的组，其中n为0或1；R2是H，氘或甲基；R3是甲基，三氟甲基，乙基，或者与R2共同形成一个环丙基组，或者R3形成一个甲基桥接到标记为*的碳原子上，这些化合物适合用于治疗自身免疫性疾病和慢性炎症。
• [EN] NOVEL PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS mTOR INHIBITORS<br/>[FR] NOUVEAUX DÉRIVÉS DE PYRAZOLO[1,5-A]PYRIMIDINE UTILISÉS COMME INHIBITEURS DE MTOR
  申请人：SCHERING CORP

  公开号：WO2012027236A1

  公开（公告）日：2012-03-01

  The present invention relates to certain pyrazolo[1,5-a]pyrimidine compounds of Formula (I) as inhibitors of mammalian Target Of Rapamycin (mTOR) kinase, which is also known as FRAP, RAFT, RAPT or SEP. The compounds may be used in the treatment of cancer and other disorders where mTOR is deregulated. The present invention further provides pharmaceutical compositions comprising the pyrazolo[1,5-a]pyrimidine compounds.

  本发明涉及某些吡唑并[1,5-a]嘧啶化合物，其化学式为(I)，作为哺乳动物雷帕霉素靶蛋白(mTOR)激酶的抑制剂，也称为FRAP、RAFT、RAPT或SEP。这些化合物可用于治疗癌症和其他mTOR调节异常的疾病。本发明还提供了包含吡唑并[1,5-a]嘧啶化合物的药物组合物。
• [EN] ETHYNYL DERIVATIVES<br/>[FR] DÉRIVÉS D'ÉTHYNYLE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2015128307A1

  公开（公告）日：2015-09-03

  The present invention relates to compounds of formula I, wherein Y is N or C-R1'; R1' is hydrogen or F; R1 is hydrogen, halogen or lower alkyl substituted by halogen; R2 is hydrogen or lower alkyl; or R2 forms together with R4 a 6 membered heterocyclic ring containing -CH2-CH2-O-CH2- or -CH2-CH2-NR-C(O)-; R is hydrogen, lower alkyl, phenyl or benzyl; R3 is phenyl or pyridinyl, wherein the N atom in the pyridinyl group may be in different positions; R4' is hydrogen, lower alkyl or lower alkoxyalkyl; R4 is hydrogen, lower alkyl, phenyl optionally substituted by halogen or lower alkoxy, or is cycloalkyl, or is pyridinyl optionally substituted by halogen, lower alkyl, lower alkoxy or =0, or is pyrimidinyl optionally substituted by lower alkyl, lower alkoxy or =0, or is 1 -lower alkyl-pyridinyl, or is pyrazinyl, or is pyridazinyl optionally substituted by lower alkyl, lower alkoxy or =0, or is l-methylpyrrolo[2,3-b]pyridine-5-yl, or is 6-imidazo[l,2- b]pyridazin-6-yl; or R4 forms together with R4' a 4, 5 or 6 membered heterocyclic ring containing -(CH2)5-, -CH2-CH2-O-CH2-CH2-, -CH2-CH2-CH2-, -CH2-CH2-CH2-CH2-, -CH2-O-CH2-CH2- or CH2-CH2-CH2-O-CH2; R5 and R5' are hydrogen or lower alkyl; or R4 forms together with R5 a saturated 5- membered ring containing -CH2-CH2-CH2-; or to a pharmaceutically acceptable salt or acid addition salt, to a racemic mixture, or to its corresponding enantiomer and/or optical isomer and/or stereoisomer thereof. The compounds may be used for the treatment of Parkinson's disease, anxiety, emesis, obsessive compulsive disorder, autism, neuroprotection, cancer, depression and diabetes type 2.

  本发明涉及以下式I的化合物，其中Y为N或C-R1'；R1'为氢或F；R1为氢、卤素或经卤素取代的较低烷基；R2为氢或较低烷基；或R2与R4一起形成一个含有-CH2-CH2-O-CH2-或-CH2-CH2-NR-C(O)-的6元杂环环；R为氢、较低烷基、苯基或苄基；R3为苯基或吡啶基，其中吡啶基中的N原子可能在不同位置；R4'为氢、较低烷基或较低烷氧基烷基；R4为氢、较低烷基、苯基（可选择地经卤素或较低烷氧基取代）、环烷基、或吡啶基（可选择地经卤素、较低烷基、较低烷氧基或=0取代）、或嘧啶基（可选择地经较低烷基、较低烷氧基或=0取代）、或1-较低烷基-吡啶基，或吡嗪基，或吡啶嗪（可选择地经较低烷基、较低烷氧基或=0取代），或1-甲基吡咯并[2,3-b]吡啶-5-基，或6-咪唑并[1,2-b]吡嗪-6-基；或R4与R4'一起形成含有-(CH2)5-、-CH2-CH2-O-CH2-CH2-、-CH2-CH2-CH2-、-CH2-CH2-CH2-CH2-、-CH2-O-CH2-CH2-或CH2-CH2-CH2-O-CH2-的4、5或6元杂环环；R5和R5'为氢或较低烷基；或R4与R5一起形成一个饱和的含有-CH2-CH2-CH2-的5元环；或制药学上可接受的盐或酸加成盐，或消旋混合物，或其相应的对映体和/或光学异构体和/或立体异构体。这些化合物可用于治疗帕金森病、焦虑、恶心、强迫性障碍、自闭症、神经保护、癌症、抑郁症和2型糖尿病。
• N-(2-HYDROXYACETYL)-5-(4-PIPERIDYL)-4-(4-PYRIMIDINYL)-3-(4-CHLOROPHENYL)PYRAZOLE
  申请人：Pharmacia Corporation

  公开号：EP1429772A1

  公开（公告）日：2004-06-23
• PROCESS FOR MAKING SUBSTITUTED PYRAZOLES
  申请人：Pharmacia Corporation

  公开号：EP1429773A1

  公开（公告）日：2004-06-23