5,6-二苯基-N-[[(2S)-四氢-2-呋喃基]甲基]呋喃并[2,3-d]嘧啶-4-胺; AIM 100 | 873305-35-2

• 物质功能分类: 生物化工 - 生化试剂 - 激动剂抑制剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 中文名称: 5,6-二苯基-N-[[(2S)-四氢-2-呋喃基]甲基]呋喃并[2,3-d]嘧啶-4-胺; AIM 100
• 中文别名: 5,6-二苯基-N-[[(2S)-四氢-2-呋喃基]甲基]呋喃并[2,3-D]嘧啶-4-胺；5,6-二苯基-N-[[(2S)-四氢-2-呋喃基]甲基]呋喃并[2,3-d]嘧啶-4-胺;AIM100
• 英文名称: 5,6-diphenyl-4-[(S)-(tetrahydrofuran-2-yl)-methyl]aminofuro[2,3-d]pyrimidine
• 英文别名: (S)-5,6-diphenyl-N-((tetrahydrofuran-2-yl)methyl)furo[2,3-d]pyrimidin-4-amine；N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
• CAS: 873305-35-2
• 化学式: C₂₃H₂₁N₃O₂
• 分子量: 371.439
• InChiKey: XNFHHOXCDUAYSR-SFHVURJKSA-N

物化性质

• 沸点：
  552.9±50.0 °C(Predicted)
• 密度：
  1.243±0.06 g/cm3(Predicted)
• 溶解度：
  不溶于水；温和加热时，EtOH 中≥35.8 mg/mL； DMSO 中≥36 mg/mL，温和加热

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  60.2
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

制备方法与用途

生物活性

AIM-100是一种有效的Ack1小分子抑制剂，IC50值为24 nM。

靶点

Target	Value
ACK1	24 nM

反应信息

• 作为产物：
  描述：

  2-氨基-4,5-二苯基-3-呋喃甲腈 在 乙酸酐 、 溶剂黄146 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 26.0h， 生成 5,6-二苯基-N-[[(2S)-四氢-2-呋喃基]甲基]呋喃并[2,3-d]嘧啶-4-胺; AIM 100
  参考文献：
  名称：

  METHODS FOR THE TREATMENT OF DISORDERS RELATED TO PHOSPHORYLATION OF HISTONES

  摘要：

  用于疾病诊断、预后和治疗选择的方法。还公开了用于这些方法的组合物和选择的治疗方法。

  公开号：

  US20160091498A1

文献信息

• Furanopyrimidines
  申请人：Buchanan Laird John

  公开号：US20060040961A1

  公开（公告）日：2006-02-23

  The present invention relates to furanopyrimidine compounds having the general Formula I: and stereoisomers, tautomers, solvates, pharmaceutically acceptable salts and derivatives, and prodrugs thereof. The invention also includes pharmaceutical compositions comprising a compound of Formula I, methods of treating various diseases and conditions in a mammal, including inflammation, inhibition of T cell activation, proliferation, arthritis, organ transplant, ischemic or reperfusion injury, myocardial infarction, stroke, multiple sclerosis, inflammatory bowel disease, Crohn's disease, lupus, hypersensitivity, type 1 diabetes, psoriasis, dermatitis, Hashimoto's thyroiditis, Sjogren's syndrome, autoimmune hyperthyroidism, Addison's disease, autoimmune diseases, glomerulonephritis, allergic diseases, asthma, hayfever, eczema, cancer, colon carcinoma and thymoma, comprising administering to the mammal a therapeutically effective amount of a compound of Formula I. The invention also relates to methods of manufacturing medicaments, which comprise one or more compounds of Formula I.

  本发明涉及具有一般式I的呋喃嘧啶化合物及其立体异构体、互变异构体、溶剂化物、药学上可接受的盐和衍生物以及其前药。本发明还包括包含一种I式化合物的制药组合物，以及在哺乳动物中治疗各种疾病和病况的方法，包括炎症、抑制T细胞激活、增殖、关节炎、器官移植、缺血或再灌注损伤、心肌梗死、中风、多发性硬化症、炎症性肠病、克罗恩病、狼疮、过敏、1型糖尿病、牛皮癣、皮炎、桥本氏甲状腺炎、干燥综合症、自身免疫性甲状腺功能亢进症、Addison病、自身免疫性疾病、肾小球肾炎、过敏性疾病、哮喘、花粉热、湿疹、癌症、结肠癌和胸腺瘤的方法，包括向哺乳动物中投与一种I式化合物的治疗有效量。本发明还涉及制造药物的方法，其包括一种或多种I式化合物。
• PHOSPHORYLATION OF HISTONES AND USES THEREOF
  申请人：H. Lee Moffitt Cancer Center And Research Institute

  公开号：US20150011567A1

  公开（公告）日：2015-01-08

  Phosphorylation of histones was observed at certain tyrosine residues which have not been associated with epigenetic modification. These sites include H2B Tyr37, H4 Tyr88 and Tyr 51 and H3 Tyr99. Kinases responsible for the phosphorylation as well as downstream genes regulated by such phosphorylation were also identified. Antibodies that are specific to such phosphorylated histones have been generated, which are useful for detecting the phosphorylation and related events. With such findings, the present disclosure provides compositions and methods for disease diagnosis, prognosis and therapy selection, in particular for cancer, obesity and diabetes.

  观察到组蛋白在某些酪氨酸残基上的磷酸化，这些残基尚未与表观遗传修饰相关联。这些位点包括H2B Tyr37，H4 Tyr88和Tyr 51以及H3 Tyr99。负责磷酸化的激酶以及由此磷酸化调节的下游基因也已被确定。已生成特异性针对此类磷酸化组蛋白的抗体，可用于检测磷酸化及相关事件。凭借这些发现，本公开提供了用于疾病诊断、预后和治疗选择的组合物和方法，特别是用于癌症、肥胖症和糖尿病。
• [EN] FURANOPYRIMIDINES<br/>[FR] FURANOPYRIMIDINES
  申请人：AMGEN INC

  公开号：WO2006004658A3

  公开（公告）日：2006-04-20
• FURANOPYRIMIDINES
  申请人：Amgen Inc.

  公开号：EP1768986A2

  公开（公告）日：2007-04-04
• PHARMACEUTICAL COMBINATION FOR TREATMENT OF CANCER
  申请人：ArQule, Inc.

  公开号：US20200155521A1

  公开（公告）日：2020-05-21

  The present application is drawn to methods of treating a cell proliferative disorder, such as a cancer, comprising administering to a subject in need thereof a therapeutically effective amount of a composition comprising at least one of Compound 1, Compound 2, and Compound 3, or a pharmaceutically acceptable salt, solvate, hydrate, or prodrug thereof, and at least one second therapeutic agent or a pharmaceutically acceptable salt, solvate, hydrate, or prodrug thereof, wherein the cell proliferative disorder is treated.