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名称

ETP-46321

分子类型

小分子

英文名称

ETP-46321

货号

E647504-5mg

包装规格

5mg

浓度

≥99%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

ETP-46321 is a potent and orally bioavailable PI3Kα and PI3Kδ inhibitor with K iapp s of 2.3 and 14.2 nM, respectively. In Vitro ETP-46321 is selected to be screened against other PI3K isoforms. ETP-46321 is more potent against isoform α (K iapp =2.3 nM). ETP-4632, has been profiled and shown to be a potent PI3K α and δ inhibitor, highly selective versus mTOR and 288 representative kinases. ETP-46321 is also tested against three of the p110α mutant enzymes detected in human cancers (E542K, E545K and H1047R), being equipotent against these mutants when compared to the wild type protein (K iapp =2.33, 1.77 and 1.89 nM for PI3Kα-H1047R, PI3Kα-E545K and PI3Kα-E542K, respectively). ETP-46321 inhibits the phosphorilation of AKT in U2OS cell line with an IC 50 of 8.3 nM. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo ETP-46321, is selected for in vivo studies based on its appealing pharmacokinetic profile in BALB-C mice, low in vivo Clearance (0.6 L/h/Kg) and good oral bioavailability (90%). ETP-46321 demonstrates a good pharmacokinetic profile in mice and is selected for preliminary in vivo evaluation in a lung tumor mouse model driven by a K-RasG12V oncogenic mutation, showing significant tumor growth inhibition, and reduction of the tumor metabolic activity as measured by positron emission tomography (PET) techniques . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:p110α 2.3 nM (Ki) PI3Kα-E545K 1.77 nM (Ki) PI3Kα-E542K 1.89 nM (Ki) PI3Kα-H1047R 2.33 nM (Ki) p110δ 14.2 nM (Ki) p110β 170 nM (Ki) p110γ 179 nM (Ki)

生化机理

ETP-46321 是一种强效的口服生物活性 PI3Kα 和 PI3Kδ 抑制剂，其 K iapp s 分别为 2.3 和 14.2 nM。

CAS号

1252594-99-2

分子式

C20H27N9O3S

分子量

473.55 g/mol

PubChem编号

46927938

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CN3C=C(N=C(C3=N2)N4CCOCC4)C5=CN=C(N=C5)N

IIUPAC Name

5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine

INCHI

1S/C20H27N9O3S/c1-33(30,31)29-4-2-26(3-5-29)12-16-13-28-14-17(15-10-22-20(21)23-11-15)25-19(18(28)24-16)27-6-8-32-9-7-27/h10-11,13-14H,2-9,12H2,1H3,(H2,21,22,23)

InChi Key

OHKDVDMWRKFZRB-UHFFFAOYSA-N

Smiles

CS(=O)(=O)N1CCN(CC1)CC2=CN3C=C(N=C(C3=N2)N4CCOCC4)C5=CN=C(N=C5)N

PubChem CID

46927938

MeSH Entry Terms

ETP-46321

溶解性

DMSO : ≥ 33 mg/mL (69.69 mM)

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

473.196 Da

单同位素质量Monoisotopic Mass

473.196 Da

拓扑极表面积Topological Polar Surface Area

143.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

746

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

-0.7

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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