8-氯-苯并二氢吡喃-4-胺 | 770690-25-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 8-氯-苯并二氢吡喃-4-胺
• 英文名称: 8-Chlorochroman-4-amine
• 英文别名: 8-chloro-3,4-dihydro-2H-chromen-4-amine
• CAS: 770690-25-0
• 化学式: C₉H₁₀ClNO
• mdl: MFCD07374051
• 分子量: 183.637
• InChiKey: YCWHOLRRUIEVQK-UHFFFAOYSA-N

物化性质

• 沸点：
  268.7±40.0 °C(Predicted)
• 密度：
  1.250±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-(8-chloro-2,3-dihydrochromen-4-ylidene)hydroxylamine 在 氢气 作用下， 以 乙醇 为溶剂， 生成 8-氯-苯并二氢吡喃-4-胺
  参考文献：
  名称：

  2-Benzimidazolyl-9-(chroman-4-yl)-purinone derivatives as JAK3 inhibitors

  摘要：

  A novel class of Janus tyrosine kinase 3 (JAK3) inhibitors based on a 2-benzimidazoylpurinone core structure is described. Through substitution of the benzimidazoyl moiety and optimization of the N-9 substituent of the purinone, compound 24 was identified incorporating a chroman-based functional group. Compound 24 shows excellent kinase activity, good oral bioavailability and demonstrates efficacy in an acute mechanistic mouse model through inhibition of interleukin-2 (IL-2) induced interferon-gamma (INF-gamma) production. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.080

文献信息

• 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION
  申请人：Pharmacopeia, LLC

  公开号：EP2099800A1

  公开（公告）日：2009-09-16
• [EN] 7-SUBSTITUTED PURINE DERIVATIVES FOR IMMUNOSUPPRESSION<br/>[FR] DÉRIVÉS DE PURINE SUBSTITUÉS EN 7, DESTINÉS À L'IMMUNOSUPPRESSION
  申请人：PHARMACOPEIA INC

  公开号：WO2008060301A1

  公开（公告）日：2008-05-22

  [EN] The present invention provides novel purinone and related derivatives useful for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection. The compounds are of the general formula (III).
  [FR] La présente invention concerne de nouveaux dérivés de purinone et des dérivés associés destinés à prévenir et à traiter des maladies auto-immunes, une maladie inflammatoire, une maladie à médiation mastocytaire et un rejet de greffe. Les composés sont représentés par la formule générale III.
• [EN] COMPOUNDS AND COMPOSITIONS FOR INHIBITING THE ACTIVITY OF HIF2α AND THEIR METHODS OF USE<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR INHIBER L'ACTIVITÉ DE HIF2α ET LEURS MÉTHODES D'UTILISATION
  申请人：NOVARTIS AG

  公开号：WO2021217508A1

  公开（公告）日：2021-11-04

  Provided are compounds of formula (I) or a pharmaceutically acceptable salt form thereof, wherein the substituents are as defined in the specification; to intermediates in the preparation of the compounds, to pharmaceutical compositions comprising the compounds and to the use of the compounds in the treatment of disease.
• 2-Benzimidazolyl-9-(chroman-4-yl)-purinone derivatives as JAK3 inhibitors
  作者：Andrew G. Cole、Adolph C. Bohnstedt、Vidyadhar Paradkar、Celia Kingsbury、Jorge G. Quintero、Haengsoon Park、Yingchun Lu、Ming You、Irina Neagu、David J. Diller、Jeffrey J. Letourneau、Yuefei Shao、Ray A. James、Christopher M. Riviello、Koc-Kan Ho、Tsung H. Lin、Bojing Wang、Kenneth C. Appell、Matthew Sills、Elizabeth Quadros、Earl F. Kimble、Michael H.J. Ohlmeyer、Maria L. Webb

  DOI：10.1016/j.bmcl.2009.09.080

  日期：2009.12

  A novel class of Janus tyrosine kinase 3 (JAK3) inhibitors based on a 2-benzimidazoylpurinone core structure is described. Through substitution of the benzimidazoyl moiety and optimization of the N-9 substituent of the purinone, compound 24 was identified incorporating a chroman-based functional group. Compound 24 shows excellent kinase activity, good oral bioavailability and demonstrates efficacy in an acute mechanistic mouse model through inhibition of interleukin-2 (IL-2) induced interferon-gamma (INF-gamma) production. (C) 2009 Elsevier Ltd. All rights reserved.