(R)​-​CR8

• 常用名: (R)​-​CR8
• 英文名: (R)​-​CR8
• CAS号: 294646-77-8
• 分子量: 431.533
• 密度: 1.3±0.1 g/cm3
• 沸点: 671.4±65.0 °C at 760 mmHg
• 分子式: C₂₄H₂₉N₇O
• 熔点: N/A
• 闪点: 359.8±34.3 °C
• 符号: GHS07
• 信号词: Warning

(R)​-​CR8用途

(R)​-​CR8 (CR8) 是 Roscovitine 的第二代类似物,是一种有效的 CDK1/2/5/7/9 抑制剂。(R)​-​CR8 (CR8) 抑制 CDK1/cyclin B (IC50=0.09 μM)、CDK2/cyclin A (0.072 μM)、CDK2/cyclin E (0.041 μM)、CDK5/p25 (0.11 μM)、CDK7/cyclin H (1.1μM)、CDK9/cyclin T (0.18μM) 和 CK1δ/ε (0.4 μM)。(R)​-​CR8 (CR8) 诱导细胞凋亡并具有神经保护作用。

(R)​-​CR8名称

• 中文名: (R)-2-((9-异丙基-6-((4-(吡啶-2-基)苄基)氨基)-9H-嘌呤-2-基)氨基)丁醇
• 英文名: (2R)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butan-1-ol

(R)​-​CR8生物活性

• 描述: (R)​-​CR8 (CR8) 是 Roscovitine 的第二代类似物,是一种有效的 CDK1/2/5/7/9 抑制剂。(R)​-​CR8 (CR8) 抑制 CDK1/cyclin B (IC50=0.09 μM)、CDK2/cyclin A (0.072 μM)、CDK2/cyclin E (0.041 μM)、CDK5/p25 (0.11 μM)、CDK7/cyclin H (1.1μM)、CDK9/cyclin T (0.18μM) 和 CK1δ/ε (0.4 μM)。(R)​-​CR8 (CR8) 诱导细胞凋亡并具有神经保护作用。
• 相关类别:
  信号通路 >> 细胞凋亡 >> 细胞凋亡
  研究领域 >> 癌症
  信号通路 >> 细胞周期/DNA损伤 >> CDK
• 靶点实验:

  Cdk1/cyclin B:0.09 μM (IC50)

  cdk2/cyclin A:0.072 μM (IC50)

  CDK2/cyclinE:0.041 μM (IC50)

  Cdk5/p25:0.11 μM (IC50)

  CDK7/cyclin H:1.1 μM (IC50)

  CDK9/Cyclin T:0.18 μM (IC50)

  CK1δ/ε:0.4 μM (IC50)

• 参考文献:

  [1]. Bettayeb K, et al. CR8, a potent and selective, roscovitine-derived inhibitor of cyclin-dependent kinases. Oncogene. 2008 Oct 2;27(44):5797-807.

  [2]. Kabadi SV, et al. CR8, a novel inhibitor of CDK, limits microglial activation, astrocytosis, neuronal loss, and neurologic dysfunction after experimental traumatic brain injury. J Cereb Blood Flow Metab. 2014 Mar;34(3):502-13.

(R)​-​CR8物理化学性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 671.4±65.0 °C at 760 mmHg
• 分子式: C₂₄H₂₉N₇O
• 分子量: 431.533
• 闪点: 359.8±34.3 °C
• 精确质量: 431.243347
• PSA: 100.78000
• LogP: 2.10
• InChIKey: HOCBJBNQIQQQGT-LJQANCHMSA-N
• SMILES: CCC(CO)Nc1nc(NCc2ccc(-c3ccccn3)cc2)c2ncn(C(C)C)c2n1
• 蒸汽压: 0.0±2.2 mmHg at 25°C
• 折射率: 1.664
• 储存条件: 2-8°C，密闭，干燥

(R)​-​CR8安全信息

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302
• 危害码 (欧洲): Xi
• 危险品运输编码: NONH for all modes of transport

(R)​-​CR8靶点实验

查看更多实验

实验名称：Inhibition of CDK2 in human G361 cells assessed as reduction in phosphorylation of RN... 来源：ChEMBL 靶标：Cyclin-dependent kinase 2 External Id：CHEMBL3777887

实验名称：Primary qHTS assay for small molecule inhibitors of Inositol hexaphosphate kinase 1 (... 来源：NCGC External Id：IP6K1-p1

实验名称：Cytochrome P450 family 3 subfamily A member 4 (CYP3A4) small molecule antagonists: lu... 来源：NCGC External Id：CYP3A4437

实验名称：Antiproliferative activity against human Mino cells measured after 72 hrs by calcein ... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4386145

实验名称：Cytochrome P450 family 2 subfamily D member 6 (CYP2D6) small molecule antagonists: lu... 来源：NCGC External Id：CYP2D6395

实验名称：Cytochrome P450 family 2 subfamily C member 9 (CYP2C9) small molecule antagonists: lu... 来源：NCGC External Id：CYP2C9536

实验名称：Inhibition of His-tagged CDK2/Cyclin-E1 (unknown origin) expressed in baculovirus inf... 来源：ChEMBL 靶标：G1/S-specific cyclin-E1 External Id：CHEMBL4386142

实验名称：Antiproliferative activity against human HT cells measured after 72 hrs by calcein AM... 来源：ChEMBL 靶标：HT External Id：CHEMBL4386143

实验名称：Antiproliferative activity against human OCI-Ly2 cells measured after 72 hrs by calce... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4386144

实验名称：qHTS assay to identify novel small-molecules to repurpose for Merkel cell carcinoma t... 来源：NCGC 靶标：N/A External Id：MCC011

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(R)​-​CR8英文别名

• (2R)-2-[(9-Isopropyl-6-{[4-(2-pyridinyl)benzyl]amino}-9H-purin-2-yl)amino]-1-butanol
• 3ddp
• CR-8
• HMS3229B13