3,3-二(4-氨基苯基)丁烷-2-酮 | 2686-47-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3,3-二(4-氨基苯基)丁烷-2-酮
• 英文名称: amphenone
• 英文别名: 3,3-bis-(4-amino-phenyl)-butan-2-one；3,3-Bis-(4-amino-phenyl)-butan-2-on；Amphenon B；Amphenone B；3,3-bis(4-aminophenyl)butan-2-one
• CAS: 2686-47-7
• 化学式: C₁₆H₁₈N₂O
• 分子量: 254.332
• InChiKey: MKBVGNJXUNEBAL-UHFFFAOYSA-N

物化性质

• 熔点：
  137.5-138°

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  69.1
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2922399090

反应信息

• 作为产物：
  描述：

  2,3-bis-(4-amino-phenyl)-butane-2,3-diol, dihydrochloride 在 水 作用下， 生成 3,3-二(4-氨基苯基)丁烷-2-酮
  参考文献：
  名称：

  Chemical Studies on Pinacols Obtained from p-Aminoacetophenone and p-Aminopropiophenone¹

  摘要：

  DOI：

  10.1021/ja01157a033

文献信息

• Communications - Structure of Amphenone B and Related Amphenones
  作者：W. Bencze、M. Allen

  DOI：10.1021/jo01354a027

  日期：1957.3
• Rearrangement of 2,3-Bis(p-aminophenyl)-2,3-butanediol. Structure of Amphenone B^*
  作者：JEROME KORMAN、EDWARD C. OLSON

  DOI：10.1021/jo01359a002

  日期：1957.8
• USE OF AN MHC CLASS I SUPPRESSOR DRUG FOR THE TREATMENT OF AUTOIMMUNE DISEASES AND TRANSPLANTATION REJECTION
  申请人：THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES

  公开号：EP0702554A1

  公开（公告）日：1996-03-27
• METHODS OF ASSESSING MHC CLASS I EXPRESSION AND PROTEINS CAPABLE OF MODULATING CLASS I EXPRESSION
  申请人：THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES

  公开号：EP0880701A1

  公开（公告）日：1998-12-02
• METHODS AND COMPOSITIONS FOR ENHANCING ANTI-TUMOR IMMUNITY BY TARGETING STEROIDOGENESIS
  申请人：The Broad Institute, Inc.

  公开号：US20210100774A1

  公开（公告）日：2021-04-08

  The subject matter disclosed herein is generally directed to modulating anti-tumor T cell immunity by modulating steroidogenesis. Steroidogenesis may be modulated with inhibitors of enzymes that synthesize glucocorticoids in a tumor. The inhibitor may target Cyp11a1. The inhibitor may be metyrapone. The invention further relates to modulating immune states, such as CD8 T cell immune states, in vivo, ex vivo and in vitro. The invention further relates to diagnostic and screening methods.