5MPN - ≥98% , CAS No.47208-82-2

CAS: 47208-82-2 Cat. No.: M649540 Molecular Weight: 305.33 EC Number: 664-935-1 PubChem CID: 4060327

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

5MPN is a first-in-class, potent, orally active and selective 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 4 ( PFKFB4 ) inhibitor. 5MPN appears to be a competitive inhibitor of the F6P binding site ( K i =8.6 μM). 5MPN does not inhibit PFK-1 or PFKFB3. 5MPN targets the sugar metabolism of tumors and suppresses proliferation of multiple human cancer cell lines

In Vitro

5MPN (0~30 μM; 24 hours; H460 cells) inhibits the expression of PFKFB4. 5MPN (0~50 μM; 0~72 hours; H460 NSCLC cells) first reduces the intracellular concentration of F2,6BP, glycolysis and ATP, which in turn results in a reduction in cell proliferation. 5MPN (0 and 10 μM; 6, 12 and 24 hours; H460 cells) induces cells apoptosis. 5MPN (0 and 10 μM; 6, 12 and 24 hours; H460 cells) arrests cell cycle progression. 5MPN (0.1, 1 or 10 µM) significantly inhibits PFKFB4 activity. 5MPN (H460 cells) leads to a dose-dependent decrease in the intracellular F2,6BP concentration. 5MPN (0~30 μM; over 48 hours; H460, H1299, H441, H522 and A549 cells) makes a dose-dependent reduction in cells growth. 5MPN (0~30 μM; 24 hours; H460 cells) inhibits PFKFB4 expression causing the observed reduction in H460 cell proliferation. 5MPN causes a G1 arrest in LLC cells in vitro similar to H460 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: H460 cells Concentration: 0~30 μΜ Incubation Time: 24 hours Result: Inhibited the expression of PFKFB4 . Cell Proliferation AssayCell Line: H460 NSCLC cells Concentration: 0~50 μM Incubation Time: 0~72 hours Result: Resulted in a reduction in cell proliferation. Apoptosis AnalysisCell Line: H460 cells Concentration: 0 and 10 μΜ Incubation Time: 6, 12 and 24 hours Result: Induced cells apoptosis. Cell Cycle AnalysisCell Line: H460 cells Concentration: 0 and 10 μΜ Incubation Time: 6, 12 and 24 hours Result: Arrested cell cycle progression.

In Vivo

5MPN (120 mg/kg; p.o.) suppresses the growth of Lewis lung carcinomas (LLC) grown in syngeneic mice and H460 human lung adenocarcinoma xenografts grown in athymic mice without affecting body weight . 5MPN causes a reduction in Ki67-positive cells in the LLC xenografts suggesting that 5MPN may be reducing cell cycle progression in vivo . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: C57BL/6 mice Dosage: 120 mg/kg Administration: P.o. Result: Suppressed the growth of Lewis lung carcinomas (LLC) grown in syngeneic mice and H460 human lung adenocarcinoma xenografts grown in athymic mice without affecting body weight.

Form:Solid

IC50& Target:KI: 8.6 μM (PFKFB4)

Specifications

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

5MPN is a first-in-class, potent, orally active and selective 6-phosphofructo-2-kinase/fructose-2, 6-bisphosphatase 4 ( PFKFB4 ) inhibitor. 5MPN appears to be a competitive inhibitor of the F6P binding site ( K i =8.6 μM). 5MPN does not inhibit PFK-1 or PF

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=CC=CC2=C(C=CN=C21)NCCCCCO[N+](=O)[O-]
• Isomeric SMILES: COC1=CC=CC2=C(C=CN=C21)NCCCCCO[N+](=O)[O-]
• PubChem CID: 4060327
• Molecular Weight: 305.33

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (327.51 mM; Need ultrasonic)
• Molecular Weight: 305.330 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 305.138 Da
• Monoisotopic Mass: 305.138 Da
• Topological Polar Surface Area: 89.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 337.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1