3-Chloro-benzo[b]thiophene-2-carboxylic acid (4'-cyano-6-methoxy-biphenyl-3-ylmethyl)-(4-methylaminocyclohexyl)-amide hydrochloride | 364590-91-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-Chloro-benzo[b]thiophene-2-carboxylic acid (4'-cyano-6-methoxy-biphenyl-3-ylmethyl)-(4-methylaminocyclohexyl)-amide hydrochloride
• 英文别名: 3-Chloro-benzo[b]thiophene-2-carboxylic Acid (4'-cyano-6-methoxy-biphenyl-3-ylmethyl)-(4-methylamino-cyclohexyl)-amide Hydrochloride；3-Chloro-benzo[b]thiophene-2-carboxylic-acid (4'-cyano-6-methoxy-biphenyl-3-ylmethyl)-(4-methylaminocyclohexyl)-amide Hydrochloride；3-chloro-N-[[3-(4-cyanophenyl)-4-methoxyphenyl]methyl]-N-[4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide;hydrochloride
• CAS: 364590-91-0
• 化学式: C₃₁H₃₀ClN₃O₂S*ClH
• 分子量: 580.578
• InChiKey: HGZFGNGETNENQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  39
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  93.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  {4-[(3-Chloro-benzo[b]thiophene-2-carbonyl)-(4'-cyano-6-methoxy-biphenyl-3-ylmethyl)-amino]-cyclohexyl}-methyl-carbamic acid t-butyl ester 、 tert-butylmethyl ether 在 盐酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 以99%的产率得到3-Chloro-benzo[b]thiophene-2-carboxylic acid (4'-cyano-6-methoxy-biphenyl-3-ylmethyl)-(4-methylaminocyclohexyl)-amide hydrochloride
  参考文献：
  名称：

  Small organic molecule regulators of cell proliferation

  摘要：

  一个用一般公式（X）和（XI）表示的化合物：

  公开号：

  US06683192B2

文献信息

• Mediators of hedgehog signaling pathways, compositions and uses related thereto
  申请人：Baxter David Anthony

  公开号：US20050014796A1

  公开（公告）日：2005-01-20

  The present invention makes available methods and reagents for inducing activation of a hedgehog pathway in a cell or tissue comprising contacting the cell with a hedgehog agonist, such as a small molecule, in a sufficient amount to achieve a therapeutic result. In certain embodiments, the methods and reagents may be employed to correct or inhibit an aberrant or unwanted growth state, e.g., by antagonizing a normal ptc pathway or agonizing smoothened or hedgehog activity.

  本发明提供了诱导细胞或组织中刺猬通路激活的方法和试剂，包括将细胞与刺猬激动剂（如小分子）接触，以获得治疗效果的足够量。在某些实施例中，可以使用这些方法和试剂来纠正或抑制异常或不需要的生长状态，例如通过拮抗正常的ptc通路或激活smoothened或刺猬活性。
• Agonists of hedgehog signaling pathways and uses related thereto
  申请人：Curis, Inc.

  公开号：US06683108B1

  公开（公告）日：2004-01-27

  The present invention makes available methods and reagents for inducing activation of a hedgehog pathway in a cell or tissue comprising contacting the cell with a hedgehog agonist, such as a small molecule, in a sufficient amount to achieve a therapeutic result. In certain embodiments, the methods and reagents may be employed to correct or inhibit an aberrant or unwanted growth state, e.g., by antagonizing a normal ptc pathway or agonizing smoothened or hedgehog activity.

  本发明提供了诱导细胞或组织中刺猬通路激活的方法和试剂，包括将细胞与刺猬激动剂（例如小分子）接触，以足够的量达到治疗效果。在某些实施例中，这些方法和试剂可用于纠正或抑制异常或不需要的生长状态，例如通过拮抗正常的ptc通路或激活smoothened或刺猬活性。
• Small organic molecule regulators of cell proliferation
  申请人：Curis, Inc.

  公开号：US20030139457A1

  公开（公告）日：2003-07-24

  The present invention makes available methods and reagents for modulating proliferation or differentiation in a cell or tissue comprising contacting the cell with a hedgehog agonist, such as the compounds depicted in FIGS. 32 and 33 . In certain embodiments, the methods and reagents may be employed to correct or inhibit an aberrant or unwanted growth state, e.g., by antagonizing a normal ptc pathway or agonizing smoothened or hedgehog activity.

  本发明提供了一种调节细胞或组织增殖或分化的方法和试剂，包括将细胞与刺猬激动剂接触，例如图32和33中所示的化合物。在某些实施例中，可以利用这些方法和试剂来纠正或抑制异常或不需要的生长状态，例如通过拮抗正常的ptc通路或激活smoothened或刺猬活性。