4,5-二羟基-4,5-二氢苯并(a)芘 | 28622-84-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 中文名称: 4,5-二羟基-4,5-二氢苯并(a)芘
• 英文名称: 4,5-dihydro-B[a]P-diol
• 英文别名: 4,5-dihydrodiol benzo[a]pyrene；trans-Benzo[a]pyrene-4,5-dihydrodiol；4,5-Dihydro-4,5-dihydroxybenzo(a)pyrene；4,5-dihydrobenzo[a]pyrene-4,5-diol
• CAS: 28622-84-6
• 化学式: C₂₀H₁₄O₂
• 分子量: 286.33
• InChiKey: OYOQHRXJXXTZII-UHFFFAOYSA-N

物化性质

• 沸点：
  388.69°C (rough estimate)
• 密度：
  1.1197 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2906299090

反应信息

• 作为反应物：
  描述：

  4,5-二羟基-4,5-二氢苯并(a)芘 、 (R)-(-)-α-甲氧基-α-(三氟甲基)苯乙酰氯 生成 [(4R,5S)-5-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxy-4,5-dihydrobenzo[a]pyren-4-yl] (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
  参考文献：
  名称：

  BALANI S.; BLADEREN P.; CASSIDY E.; BOYD D.; JERINA D., J. ORG. CHEM., 52,(1987) N 1, 137-144

  摘要：

  DOI：
• 作为产物：
  描述：

  苯并[a]芘 生成 4,5-二羟基-4,5-二氢苯并(a)芘
  参考文献：
  名称：

  GIBSON T. L.; SMITH L. L., J. ORG. CHEM., 1979, 44, NO 11, 1842-1846

  摘要：

  DOI：

文献信息

• OKAMOTO TOSHIHIKO; SHUDO KOICHI; MIYATA NAOKI; KITAHARA YOSHIYASU; NAGATA+, CHEM. AND PHARM. BULL., 1978, 26, NO 7, 2014-2026
  作者：OKAMOTO TOSHIHIKO、 SHUDO KOICHI、 MIYATA NAOKI、 KITAHARA YOSHIYASU、 NAGATA+

  DOI：——

  日期：——
• CAVALIERI, ERCOLE L.;ROGAN, ELEANOR G.;CREMONESI, PAOLO;DEVANESAN, PRABHA+, BIOCHEM. PHARMACOL., 37,(1988) N 11, C. 2173-2182
  作者：CAVALIERI, ERCOLE L.、ROGAN, ELEANOR G.、CREMONESI, PAOLO、DEVANESAN, PRABHA+

  DOI：——

  日期：——
• Multi-stage stem cell carcinogenesis
  申请人：Krtolica Ana

  公开号：US20100162416A1

  公开（公告）日：2010-06-24

  The present invention relates to a system of multi-stage stem cell carcinogenesis and a method of generating such multi-stage stem cell carcinogenesis system. Various stages of cancer stem cells can be generated from normal stem cells via mutagenesis. The system of the present invention enables monitoring changes in the ability of cells to transition from one stage of carcinogenesis to another and to identify genetic pathways and molecules that influence carcinogenesis. The present invention also enables a high-throughput and nonbiased screening for targets that preferentially affect cancer stem cells relative to non-cancer stem cells or their derivatives during stem cell carcinogenesis, thus is useful in developing anti-cancer therapeutics.
• [EN] MULTI-STAGE STEM CELL CARCINOGENESIS<br/>[FR] CARCINOGENESE DE CELLULES SOUCHES MULTIETAPES
  申请人：STEMLIFELINE INC

  公开号：WO2010037134A2

  公开（公告）日：2010-04-01

  The present invention relates to a system of multi-stage stem cell carcinogenesis and a method of generating such multi-stage stem cell carcinogenesis system. Various stages of cancer stem cells can be generated from normal stem cells via mutagenesis. The system of the present invention enables monitoring changes in the ability of cells to transition from one stage of carcinogenesis to another and to identify genetic pathways and molecules that influence carcinogenesis. The present invention also enables a high-throughput and nonbiased screening for targets that preferentially affect cancer stem cells relative to non-cancer stem cells or their derivatives during stem cell carcinogenesis, thus is useful in developing anti-cancer therapeutics.
• GIBSON T. L.; SMITH L. L., J. ORG. CHEM., 1979, 44, NO 11, 1842-1846
  作者：GIBSON T. L.、 SMITH L. L.

  DOI：——

  日期：——