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Product details

名称

VER-246608

分子类型

小分子

英文名称

VER-246608

货号

V650278-5mg

包装规格

5mg

浓度

≥98%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

VER-246608 is a potent and ATP-competitive inhibitor of pyruvate dehydrogenase kinase ( PDK ) with IC 50 s of 35 nM, 40 nM, 84 nM, and 91 nM for PDK-1 , PDK-3 , PDK-2 , and PDK-4 , respectively. In Vitro VER-246608 is a novel pan-isoform ATP competitive inhibitor of PDK. VER-246608 demonstrates similar potency across all four PDK isoforms in a DELFIA-based enzyme functional assay in the sub 100 nM range. In terms of cellular biomarker modulation, VER-246608 suppresses the phosphorylation of the Ser 293 residue of E1α (phosphorylated by all four PDK isozymes) with IC 50 values of 266 nM. Treatment of PC-3 cells with 9 μM and 27 μM VER-246608 results in a 21% and 42% reduction, respectively, in media L-lactate levels following a 1 h incubation. VER-246608 also decreases D-glucose consumption at the same concentrations that result in reduced L-lactate production. An approximately 50% reduction in spheroid volume is achieved at concentrations of 10 μM and above, suggesting an increase in VER-246608 potency compared to monolayer growth. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:IC50: 35 nM (PDK-1), 40 nM (PDK-3), 84 nM (PDK-2), 91 nM (PDK-4)

生化机理

VER-246608 是一种强效的丙酮酸脱氢酶激酶（PDK）ATP 竞争性抑制剂，对 PDK-1 、PDK-3 、PDK-2 和 PDK-4 的 IC 50 s 分别为 35 nM、40 nM、84 nM 和 91 nM。

CAS号

1684386-71-7

分子式

C28H23ClF2N4O4

分子量

552.96 g/mol

PubChem编号

86280454

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=C(C=C2)N(CC3=CC=C(C=C3)CNC(=O)C(F)F)C(=O)C4=C(C=C(C=C4)O)O)Cl

IIUPAC Name

N-[4-(2-chloro-5-methylpyrimidin-4-yl)phenyl]-N-[[4-[[(2,2-difluoroacetyl)amino]methyl]phenyl]methyl]-2,4-dihydroxybenzamide

INCHI

1S/C28H23ClF2N4O4/c1-16-13-33-28(29)34-24(16)19-6-8-20(9-7-19)35(27(39)22-11-10-21(36)12-23(22)37)15-18-4-2-17(3-5-18)14-32-26(38)25(30)31/h2-13,25,36-37H,14-15H2,1H3,(H,32,38)

InChi Key

LCGNLQSOSJFLKR-UHFFFAOYSA-N

Smiles

CC1=CN=C(N=C1C2=CC=C(C=C2)N(CC3=CC=C(C=C3)CNC(=O)C(F)F)C(=O)C4=C(C=C(C=C4)O)O)Cl

PubChem CID

86280454

MeSH Entry Terms

VER-246608

溶解性

DMSO : 100 mg/mL (180.84 mM; Need ultrasonic)

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

552.138 Da

单同位素质量Monoisotopic Mass

552.138 Da

拓扑极表面积Topological Polar Surface Area

116.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

810

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

5.5

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

user reviews

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