LY 345899

LY 345899 is a Folate analog and is a methylene tetrahydrofolate dehydrogenase (MTHFD1; DC301) and MTHFD2 inbhibitor with IC50 values of 96 nM and 663 nM, respectively and a Ki of 18 nM for MTHFD1[1][2][3].

Product Specifications

CAS Number

[10538-99-5]

UNSPSC

12352005

Hazard Statement

H302, H312, H332

Target

Methylenetetrahydrofolate Dehydrogenase (MTHFD)

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Applications

Cancer-programmed cell death

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/LY_345899.html

Purity

98.0

Solubility

DMSO : 125 mg/mL (ultrasonic)

Smiles

O=C(O)[C@@H](NC(C1=CC=C(N2C(N3C4=C(NC(N)=NC4=O)NCC3C2)=O)C=C1)=O)CCC(O)=O

Molecular Formula

C20H21N7O7

Molecular Weight

471.42

Precautions

H302, H312, H332

References & Citations

[1]Schmidt A, et al. Structures of three inhibitor complexes provide insight into the reaction mechanism of the human methylenetetrahydrofolate dehydrogenase/cyclohydrolase. Biochemistry. 2000 May 30;39 (21) :6325-35.|[2]Tedeschi PM, et al. Mitochondrial Methylenetetrahydrofolate Dehydrogenase (MTHFD2) Overexpression Is Associated with Tumor Cell Proliferation and Is a Novel Target for Drug Development. Mol Cancer Res. 2015 Oct;13 (10) :1361-6.|[3]Gustafsson R, et al. Crystal Structure of the Emerging Cancer Target MTHFD2 in Complex with a Substrate-Based Inhibitor. Cancer Res. 2017 Feb 15;77 (4) :937-948.|[4]Huai-Qiang Ju, et al.Modulation of Redox Homeostasis by Inhibition of MTHFD2 in Colorectal Cancer: Mechanisms and Therapeutic Implications. J Natl Cancer Inst. 2019 Jun 1;111 (6) :584-596.