ChemicalBook CAS DataBase List LY 345899)

LY 345899)

Product NameLY 345899)
CAS10538-99-5
CBNumberCB94845002
MFC20H21N7O7
MW471.42
MDL NumberMFCD29920315
MOL File10538-99-5.mol
MSDS FileSDS

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
SMILES	O=C1N2C3=C(NC(N)=NC3=O)NCC2CN1C4=CC=C(C=C4)C(N[C@H](C(O)=O)CCC(O)=O)=O
UNSPSC Code	12352200
NACRES	NA.77

Safety

Symbol(GHS)

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

WGK Germany

WGK 3

Storage Class

11 - Combustible Solids

NFPA 704:

	0
3		0

LY 345899) Price

Product number	Packaging	Price	Product description	Buy
Cayman Chemical 36627	1mg	$44	LY345899 ≥98%	Buy
Cayman Chemical 36627	5mg	$174	LY345899 ≥98%	Buy
Cayman Chemical 36627	10mg	$304	LY345899 ≥98%	Buy
Cayman Chemical 36627	25mg	$542	LY345899 ≥98%	Buy
Biosynth KAA53899	5mg	$519.2	LY 345899	Buy

LY 345899) Chemical Properties,Usage,Production

Uses

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].

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)

References

[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. DOI:10.1021/bi992734y
[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. DOI:10.1158/1541-7786.MCR-15-0117
[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. DOI:10.1158/0008-5472.CAN-16-1476
[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. DOI:10.1093/jnci/djy160

Preparation Products And Raw materials

LY 345899) Suppliers

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.

Supplier	Tel	Email	Country	ProdList	Advantage
Bide Pharmatech Ltd.	400-164-7117 18317119277	product02@bidepharm.com	China	40000	60
Shanghai Lollane Biological Technology Co.,Ltd.	021-52996696，15000506266 15000506266		China	4865	55
Shanghai YuanYe Biotechnology Co., Ltd.	18916372613	yanzihan@shyuanye.com	China	87240	60
ShangHai Biochempartner Co.,Ltd	177-54423994 17754423994	2853530910@QQ.com	China	8000	62
InvivoChem	+1-708-310-1919 +1-13798911105	sales@invivochem.cn	United States	6378	58
Nextpeptide Inc	+86-0571-81612335 +8613336028439	sales@nextpeptide.com	China	19904	58
TargetMol Chemicals Inc.	+1-781-999-5354; +1-00000000000	marketing@targetmol.com	United States	32431	58
ChemeGen(Shanghai) Biotechnology Co.,Ltd.	18818260767	sales@chemegen.com	China	11123	58
Shanghai hongqu biomedical technology co. LTD	88888888888	hongquchem@qq.com	China	5123	58
Zhengzhou convergence chemical co., LTD	037155153829 18003835034	3897192574@qq.com	China	9985	58

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