741713-40-6

• 常用中文名：R547
• 常用英文名：R547
• CAS号：741713-40-6
• 分子式：C₁₈H₂₁F₂N₅O₄S
• 分子量：441.45200
• 相关类别： 生物化工 抑制剂 细胞周期(Cell Cycle) CDK 抑制剂
• 发布时间：2018-10-23 13:41:02
• 更新时间：2026-07-04 18:03:33
• R547是ATP竞争性CDK1,2,4抑制剂,Ki分别为2 nM,3 nM和1 nM。

名称

• 中文名: [4-氨基-2-[(1-甲磺酰基哌啶-4-基)氨基]嘧啶-5-基](2,3-二氟-6-甲氧基苯基)甲酮
• 英文名: [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone
• 中文别名: R547 试剂; CDK1,2,4抑制剂(R547); R547,CDK抑制剂; 大麦芽碱.对二甲氨乙基苯酚; R547(大麦芽碱); (4-氨基-2-((1-(甲基磺酰基)哌啶-4-基)氨基)嘧啶-5-基)(2,3-二氟-6-甲氧基苯基)甲酮
• 英文别名: (4-Amino-2-{[1-(methylsulfonyl)-4-piperidinyl]amino}-5-pyrimidinyl)(2,3-difluoro-6-methoxyphenyl)methanone; [4-Amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl](2,3-difluoro-6-methoxyphenyl)methanone; [__PROTECTED__4-Amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl](2,3-difluoro-6-methoxyphenyl)methanone; cc-270; pound not R 547; R547 ，S2688; R547, 10 mM in DMSO; Ro 4584820; (4-Amino-2-((1-(methylsulfonyl)piperidin-4-yl)amino)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphen; R547 Ro-4584820 R-547; 5-[(2,3-difluoro-6-Methoxyphenyl)carbonyl]-2-N-(1-Methanesulfonylpiperidin-4-yl)pyriMidine-2,4-diaMine; RO-4584820; [__PROTECTED__4-Amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl](2,3-difluoro-6-methoxyphenyl)methanone //BP; 3-difluoro-6-Methoxyphenyl); R547 >= (HPLC); R 547; Methanone, [4-amino-2-[[1-(methylsulfonyl)-4-piperidinyl]amino]-5-pyrimidinyl](2,3-difluoro-6-methoxyphenyl); (4-Amino-2-[(1-methylsulfonylpiperidin-4-yl)amino)pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone; [4-amino-2-[[1-(Methylsulfonyl)-4-piperidinyl]amino]-5-pyriMidinyl](2; [4-amino-2-(1-methanesulfonyl-piperidin-4-ylamino)-pyrimidin-5-yl]-(2,3-difluoro-6-methoxy-phenyl)-methanone; (4-Amino-2-{[1-(methylsulfonyl)piperidin-4-yl]amino}pyrimidin-5-yl)(2,3-difluoro-6-methoxyphenyl)methanone

物化性质

• 密度: 1.49
• 沸点: 703.7ºC at 760 mmHg
• 分子式: C₁₈H₂₁F₂N₅O₄S
• 分子量: 441.45200
• 闪点: 379.4ºC
• 精确质量: 441.12800
• PSA: 135.89000
• LogP: 3.08540
• 外观性状: 粉末
• 折射率: 1.62
• 储存条件: -20℃

生物活性

• 描述: R547是ATP竞争性CDK1,2,4抑制剂,Ki分别为2 nM,3 nM和1 nM。
• 相关类别:
  研究领域 >> 癌症
• 靶点:

  Cdk1/cyclin B:2 nM (Ki)

  CDK4/cyclin D:1 nM (Ki)

  CDK2/cyclinE:3 nM (Ki)

• 参考文献:

  [1]. Chu XJ, DePinto W, Bartkovitz D, So SS, Vu BT, Packman K, Lukacs C, Ding Q, Jiang N, Wang K, Goelzer P, Yin X, Smith MA, Higgins BX, Chen Y, Xiang Q, Moliterni J, Kaplan G, Graves B, Lovey A, Fotouhi N.Discovery of [4-Amino-2-(1-methanesulfonylpiperidin-4

  [2]. Bayés M, Rabasseda X, Prous JR.Gateways to clinical trials.Methods Find Exp Clin Pharmacol. 2007 Jul-Aug;29(6):427-37.

  [3]. Martin F, Thomson TM, Sewer A, Drubin DA, Mathis C, Weisensee D, Pratt D, Hoeng J, Peitsch MC.Assessment of network perturbation amplitudes by applying high-throughput data to causal biological networks.BMC Syst Biol. 2012 May 31;6:54.

  [4]. DePinto, Wanda et al In vitro and in vivo activity of R547: a potent and selective cyclin-dependent kinase inhibitor currently in phase I clinical trials Molecular Cancer Therapeutics (2006), 5(11), 2644-2658

  [5]. Jones, Clifford D.; Andrews, David M. Imidazole pyrimidine amides as potent, orally bioavailable cyclin-dependent kinase inhibitors Bioorganic & Medicinal Chemistry Letters (2008), 18(24), 6486-6489

安全

• 危险品运输编码: NONH for all modes of transport

合成路线

402927-97-3 741713-37-1 ~% 741713-40-6

文献：Journal of Medicinal Chemistry, , vol. 49, # 22 p. 6549 - 6560

741712-36-7 ~% 741713-40-6

文献：Journal of Medicinal Chemistry, , vol. 49, # 22 p. 6549 - 6560

287953-38-2 ~% 741713-40-6

文献：Journal of Medicinal Chemistry, , vol. 49, # 22 p. 6549 - 6560

89853-87-2 ~% 741713-40-6

文献：Journal of Medicinal Chemistry, , vol. 49, # 22 p. 6549 - 6560

73874-95-0 ~% 741713-40-6

文献：Journal of Medicinal Chemistry, , vol. 49, # 22 p. 6549 - 6560

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402927-97-3 741713-37-1 741712-36-7 287953-38-2
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