ChemicalBook CAS DataBase List 10538-99-5

10538-99-5

Name	LY 345899)
CAS	10538-99-5
Molecular Formula	C20H21N7O7
MDL Number	MFCD29920315
Molecular Weight	471.42
MOL File	10538-99-5.mol

Chemical Properties

density	1.82±0.1 g/cm3(Predicted)
storage temp.	Store at -20°C
solubility	DMSO:125.0(Max Conc. mg/mL);265.16(Max Conc. mM)
form	A solid
pka	3.46±0.10(Predicted)
color	Light yellow to yellow

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302-H312-H332
Precautionary statements	P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501

Hazard Information

Biological Activity

LY 345899, a folate analog, is also a methylenetetrahydrofolate dehydrogenase (MTHFD1; DC301) and MTHFD2 inhibitor with IC50 values of 96 nM and 663 nM, respectively, and Ki value for MTHFD1 of 18 nM.

in vitro

LY 345899 could suppress the MTHFD enzyme in the cytoplasm and mitochondria.
LY 345899 could disturb the NADPH and redox homeostases and accelerate cell death under oxidative stress, such as hypoxia, or causing in vitro anchorage independence and in vivo impaired tumor growth and metastasis.

in vivo

LY345899 (Intraperitoneal injection; 5-10 mg/kg; 5 d/wk; 4 weeks) shows potent antitumor activity and displays therapeutic activity against CRC in vivo .

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target

Ki: 18 nM (MTHFD1); IC50: 96 nM (MTHFD1) and 663 nM (MTHFD2)

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SW620 or PDX-based BABL/c nude colorectal cancer (CRC) model
5-10 mg/kg
Administration:	Intraperitoneal injection; 5-10 mg/kg; 5 d/wk; 4 weeks
Result :	Displayed lower cell proliferation indices and higher cell apoptosis. Exhibited no statistically significant weight loss or other signs of acute or delayed toxicity in mice.