3-碘-5-(三氟甲基)-1H-吡咯并[2,3-b]-吡啶 | 1142192-57-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 中文名称: 3-碘-5-(三氟甲基)-1H-吡咯并[2,3-b]-吡啶
• 中文别名: 3-碘-5-(三氟甲基)-1H-吡咯并[2,3-B]-吡啶
• 英文名称: 3-iodo-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
• CAS: 1142192-57-1
• 化学式: C₈H₄F₃IN₂
• 分子量: 312.033
• InChiKey: NSRVALWCFIYTLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P301+P310
• 危险品运输编号：
  2811
• 危险性描述：
  H301

反应信息

• 作为反应物：
  描述：

  (4-(3-ethynylimidazo[1,2-b]pyridazin-6 yl)phenyl)(morpholino)methanone 、 3-碘-5-(三氟甲基)-1H-吡咯并[2,3-b]-吡啶 在 morpholino(4-(3-(5-(trifluoromethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl)imidazo[1,2-b]pyridazin-6-yl)phenyl)methanone 、 silica gel 、 methanol-dichloromethane 作用下， 以to afford morpholino(4-(3-((5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl)imidazo[1,2-b]pyridazin-6-yl)phenyl)methanone (5.3 mg, AUC HPLC 96%) as a yellow solid的产率得到morpholino(4-(3-(5-(trifluoromethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl)imidazo[1,2-b]pyridazin-6-yl)phenyl)methanone
  参考文献：
  名称：

  BICYCLIC ALKYNE DERIVATIVES AND USES THEREOF

  摘要：

  本发明涉及某些化合物（例如咪唑吡嗪、咪唑吡啶、咪唑吡嗪和咪唑嘧啶化合物），它们作为MAP激酶相互作用激酶MNK2a、MNK2b、MNK1a和MNK1b的抑制剂。本发明还涉及包含这些化合物的制药组合物，并用于预防和治疗疾病（例如增生性疾病（例如癌症）、炎症性疾病、自身免疫性疾病、代谢性疾病和神经退行性疾病（例如自闭症、自闭症谱系障碍、阿尔茨海默病）），以及治疗这些疾病的方法。

  公开号：

  US20160229860A1
• 作为产物：
  描述：

  3-碘-5-(三氟甲基)-2-吡啶胺 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 potassium tert-butylate 、 碘 、 三乙胺 、 potassium hydroxide 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 、 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 生成 3-碘-5-(三氟甲基)-1H-吡咯并[2,3-b]-吡啶
  参考文献：
  名称：

  [EN] PYRIMIDINE AND PYRIDINE DERIVATIVES AND USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA THEREOF
  [FR] DÉRIVÉS DE PYRIMIDINE ET DE PYRIDINE ET LEUR UTILISATION POUR TRAITER OU PRÉVENIR LA GRIPPE, OU POUR ATTÉNUER SES SYMPTÔMES

  摘要：

  本文提供的是一种化合物，其化学式为（I），可以是药用盐、溶剂合物、多型体、前药、共药、共晶、互变异构体、消旋体、对映体或二对映体，或它们的混合物形式，该化合物在治疗、改善或预防流感方面具有用处。

  公开号：

  WO2017133667A1

文献信息

• COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR
  申请人：Zhang Jiazhong

  公开号：US20110112127A1

  公开（公告）日：2011-05-12

  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.

  本文描述了化合物及其盐、制剂、结合物、衍生物、形式和用途。在某些方面和实施方式中，所述化合物或其盐、制剂、结合物、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。还描述了使用它们治疗与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病况的方法，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、红斑狼疮性肾炎、肾小管坏死、糖尿病肾病、肾肥大、急性髓系白血病、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、脑转移和胃肠道间质肿瘤。
• Synthesis of Differentially Protected Azatryptophan Analogs via Pd₂(dba)₃/XPhos Catalyzed Negishi Coupling of <i>N</i>-Ts Azaindole Halides with Zinc Derivative from Fmoc-Protected <i>tert</i>-Butyl (<i>R</i>)-2-Amino-3-iodopropanoate
  作者：Roshan Y Nimje、Devaiah Vytla、Prakasam Kuppusamy、Rajeswari Velayuthaperumal、Lokesh Babu Jarugu、China Anki Reddy、Nanjundaswamy Kanikahalli Chikkananjaiah、Richard A. Rampulla、Cullen L. Cavallaro、Jianqing Li、Arvind Mathur、Anuradha Gupta、Amrita Roy

  DOI：10.1021/acs.joc.0c00973

  日期：2020.9.4

  Unnatural amino acids play an important role in peptide based drug discovery. Herein, we report a class of differentially protected azatryptophan derivatives synthesized from N-tosyl-3-haloazaindoles 1 and Fmoc-protected tert-butyl iodoalanine 2 via a Negishi coupling. Through ligand screening, Pd-2(dba)(3)/XPhos was found to be a superior catalyst for the coupling of 1 with the zinc derivative of 2 to give tert-butyl (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)propanoate derivatives 3 in 69-91% isolated yields. In addition, we have demonstrated that the protecting groups, namely, Ts, Fmoc, and Bu-t, can be easily removed selectively.
• US9096593B2
  申请人：——

  公开号：US9096593B2

  公开（公告）日：2015-08-04
• US9884867B2
  申请人：——

  公开号：US9884867B2

  公开（公告）日：2018-02-06
• [EN] COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR<br/>[FR] COMPOSÉS ET MÉTHODES DE MODULATION DES KINASES ET LEURS INDICATIONS D'EMPLOI
  申请人：PLEXXIKON INC

  公开号：WO2011057022A1

  公开（公告）日：2011-05-12

  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 arthiritis, 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.