计算溶液所需的质量、体积或浓度。
为什么选择此级别
，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
2-8°C储存,避光。低温运输 。请查阅批次 COA 获取详细规格。
质量文档
SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。
文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 0 篇同行评审文献引用。
概述
Epertinib (S-22611) is a potent, orally active, reversible, and selective tyrosine kinase inhibitor of EGFR , HER4 and HER2 , with IC 50 s of 1.48 nM, 2.49 nM and 7.15 nM, respectively. Epertinib shows potent antitumor activity
In Vitro
Epertinib inhibits the phosphorylation of EGFR and HER2 in NCI-N87 cells, with IC 50 values of 4.5 and 1.6 nM, respectively. Epertinib shows inhibitory activity against MDA-MB-361 cell, with an IC 50 of 26.5 nM. Epertinib (0-10 μM, 72 h) can selectively inhibit the proliferation of a range of cancer cell lines expressing EGFR and/or HER2. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Proliferation AssayCell Line: NCI-N87 (stomach), BT-474 (breast), SK-BR-3 (breast), MDA-MB-453 (breast), MDA-MB-175VII (breast), HT115 (colon), Calu-3 (lung), fR2 (breast), and MRC-5 (lung) Concentration: 0-10 μM Incubation Time: 72 h Result: Inhibited the growth of NCI-N87, BT-474, SK-BR-3, MDA-MB-453, MDA-MB-175VII, HT115, Calu-3, fR2, and MRC-5, with IC 50 values of 8.3 ± 2.6, 9.9 ± 0.8, 14.0 ± 3.6, 48.6 ± 3.1, 21.6 ± 4.3, 53.3 ± 8.6, 241.5 ± 29.2, 5366.7 ± 65.2, and 4964.6 ± 340.3.
In Vivo
Epertinib (0-100 mg/kg, Orally, once daily for 28 days) shows antitumor activity . Epertinib (50 mg/kg, Orally, once daily for 30 days) significantly reduces the brain tumor volume . Epertinib (0-50 mg/kg, Orally, once daily for 10-28 days) significantly inhibits the tumor growth in a dose-dependent manner. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Nude mice (BALB/cAJcl-nu/nu, implanted intracranially with MDA-MB-361 or BR2 cells) Dosage: 12.5, 25, 50, 100 mg/kg Administration: Orally, once daily for 28 days Result: Showed antitumor activity in the mammary fat pad implantation model using both cell lines and the ED 50 values were comparable (24.1 mg/kg and 26.5 mg/kg for MDA-MB-361 and BR2 (MDA-MB-361-luc-BR2), respectively). Animal Model: Nude mice (BALB/cAJcl-nu/nu, implanted intracranially with MDA-MB-361 or BR2 cells) Dosage: 50 mg/kg Administration: Orally, once daily for 30 days Result: Significantly reduced the brain tumor volume, indicating that epertinib could have potent antitumor activity in brain metastasis even in the presence of an intact BTB (blood-tumor barrier). Animal Model: Nude mice (BALB/cAJcl-nu/nu, prepared by subcutaneous implantation of human gastric cancer cells, NCI-N87 into the back of nude mice)Dosage: 0, 6.25, 12.5, 25, and 50 mg/kg Administration: Oral gavage, daily for 10-28 days Result: Significantly inhibited the tumor growth in a dose-dependent manner.
Form:Solid
IC50& Target:EGFR 1.48 ± 0.0 nM (IC 50 ) HER4 2.49 ± 0.1 nM (IC 50 ) HER2 7.15 ± 0.5 nM (IC 50 )
规格
别名
依帕替尼
英文名称
Epertinib
生化机理
埃培替尼（S-22611）是一种强效、口服活性、可逆和选择性的表皮生长因子受体、HER4 和 HER2 酪氨酸激酶抑制剂，其 IC 50 s 分别为 1.48 nM、2.49 nM 和 7.15 nM。埃培替尼具有很强的抗肿瘤活性。
储存条件
2-8°C储存,避光
运输条件
低温运输
作用类型
抑制剂
名称和识别符
分子类型
小分子
Isomeric SMILES
CC#C/C(=N\OC[C@H]1COCCN1)/C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl
PubChem CID
分子量
560.02
技术文档
高级数据
化学和物理性质
分子量
560.000 g/mol
XLogP3
6.100
氢键供体数Hydrogen Bond Donor Count
2
氢键受体数Hydrogen Bond Acceptor Count
9
可旋转键计数Rotatable Bond Count
10
精确质量Exact Mass
559.179 Da
单同位素质量Monoisotopic Mass
559.179 Da
拓扑极表面积Topological Polar Surface Area
89.900 Ų
重原子数Heavy Atom Count
40
形式电荷Formal Charge
0
复杂度Complexity
899.000
同位素原子数Isotope Atom Count
0
定义的原子立体中心计数Defined Atom Stereocenter Count
1
未定义的原子立体中心计数Undefined Atom Stereocenter Count
0
定义的键立体中心计数Defined Bond Stereocenter Count
1
未定义的键立体中心计数Undefined Bond Stereocenter Count
0
所有立体化学键的总数The total count of all stereochemical bonds
1
共价键合单元计数Covalently-Bonded Unit Count
1
质检证书（CoA,COO,BSE/TSE 和分析图谱)
C of A & Other Certificates(BSE/TSE, COO):
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溶液计算器
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