6,8-二氯-3a,4,5,9b-四氢-3H-环戊并[c]喹啉-4-羧酸 | 470693-57-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 中文名称: 6,8-二氯-3a,4,5,9b-四氢-3H-环戊并[c]喹啉-4-羧酸
• 英文名称: 6,8-Dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid
• CAS: 470693-57-3
• 化学式: C₁₃H₁₁Cl₂NO₂
• 分子量: 284.13
• InChiKey: CBSRXMMJHDMLKI-UHFFFAOYSA-N

物化性质

• 沸点：
  438.5±45.0 °C(Predicted)
• 密度：
  1.449±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• WGK Germany：
  3

文献信息

• METHODS AND COMPOUNDS FOR REGULATING APOPTOSIS
  申请人：Reed John C.

  公开号：US20090118135A1

  公开（公告）日：2009-05-07

  An assay for determining compounds that inhibit activity of a BCl-2 protein, or affect conversion of Bcl-2 from an antiapoptotic to a proapoptotic form are described. In addition, compounds that modulate the function of anti-apoptotic proteins such as Bcl-2 and related Bcl-2 family members are identified.
• NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE
  申请人：Smith Jeffrey W.

  公开号：US20100305121A1

  公开（公告）日：2010-12-02

  The present invention provides for compounds of formula (I)-(XIII), as well as pharmaceutically acceptable salts thereof, metabolites thereof, pro-drugs thereof, and pharmaceutical kits that include such compounds. The present invention also provides for the compounds of formula (I)-(XIII) for use in medical therapy or diagnosis. The present invention also provides for the use of the compounds of formula (I)-(XIII) in treating cancer in mammals (e.g., humans), as well inhibiting tumor cell growth in such mammals. The present invention also provides for methods of inhibiting FAS. The methods include contacting FAS with an effective amount of a compound of formula (I)-(XIII). The present invention also provides for methods of inhibiting the TE domain of the FAS. The methods include contacting the thioesterase TE domain of the FAS with an effective amount of a compound of formula (I)-(XIII). The present invention also provides for methods of treating cancer in mammals, as well as methods of inhibiting tumor cell growth in such mammals. The methods include administering a compound of formula (I)-(XIII) to a mammal in need of such treatment.
• SMALL-MOLECULE INHIBITORS TARGETING G-PROTEIN-COUPLED RHO GUANINE NUCLEOTIDE EXCHANGE FACTORS
  申请人：CHILDREN'S HOSPITAL MEDICAL CENTER

  公开号：US20160083353A1

  公开（公告）日：2016-03-24

  Provided are inhibitors of Rho GTPase activation, and, in particular, compounds that inhibit RhoA activation by an RhoGEF. Also provided are related pharmaceutical compositions and methods. Also provided are methods of inhibiting Rho GTPase activation. Also provided are methods of screening for compounds that inhibit Rho GTPase activation by a RhoGEF.
• SMALL- MOLECULE INHIBITORS TARGETING G-PROTEIN-COUPLED RHO GUANINE NUCLEOTIDE EXCHANGE FACTORS
  申请人：Children's Hospital Medical Center

  公开号：US20170349553A1

  公开（公告）日：2017-12-07

  Provided are inhibitors of Rho GTPase activation, and, in particular, compounds that inhibit RhoA activation by an RhoGEF. Also provided are related pharmaceutical compositions and methods. Also provided are methods of inhibiting Rho GTPase activation. Also provided are methods of screening for compounds that inhibit Rho GTPase activation by a RhoGEF.