ChemicalBook >> CAS DataBase List >>LY 345899)

LY 345899)

CAS No.
10538-99-5
Chemical Name:
LY 345899)
Synonyms
LY 345899);LY-345899 (LY345899;LY 345899, 10 mM in DMSO;inhibit,LY345899,LY-345899,Inhibitor,LY 345899,Methylenetetrahydrofolate Dehydrogenase (MTHFD);L-Glutamic acid, N-[4-(3-amino-1,2,5,6,6a,7-hexahydro-1,9-dioxoimidazo[1,5-f]pteridin-8(9H)-yl)benzoyl]-;(2S)-2-(4-(3-Amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl)benzamido)pentanedioic acid;(2S)-2-[(4-{3-amino-1,9-dioxo-1H,4H,5H,6H,6aH,7H,8H,9H-imidazo[1,5-f]pteridin-8-yl}phenyl)formamido]pentanedioic acid
CBNumber:
CB94845002
Molecular Formula:
C20H21N7O7
Molecular Weight:
471.42
MDL Number:
MFCD29920315
MOL File:
10538-99-5.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-05-28 05:59:17

LY 345899) 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

Risk and Safety Statements

Symbol(GHS)  Exclamation Mark (GHS07)
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
WGK Germany  WGK 3
Storage Class 11 - Combustible Solids
NFPA 704
0
3 0

LY 345899) price

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Cayman Chemical 36627 LY345899 ≥98% 10538-99-5 1mg $44 2026-04-30 Buy
Cayman Chemical 36627 LY345899 ≥98% 10538-99-5 5mg $174 2026-04-30 Buy
Cayman Chemical 36627 LY345899 ≥98% 10538-99-5 10mg $304 2026-04-30 Buy
Cayman Chemical 36627 LY345899 ≥98% 10538-99-5 25mg $542 2026-04-30 Buy
Biosynth KAA53899 LY 345899 10538-99-5 5mg $519.2 2026-06-04 Buy
Product number Packaging Price Buy
36627 1mg $44 Buy
36627 5mg $174 Buy
36627 10mg $304 Buy
36627 25mg $542 Buy
KAA53899 5mg $519.2 Buy

LY 345899) Chemical Properties, Uses, 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

LY 345899) Preparation Products And Raw materials

Raw materials

Preparation Products

LY 345899) Suppliers

Global Suppliers ( 43)
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 4859 55
Shanghai YuanYe Biotechnology Co., Ltd. 15026964105 2881489226@qq.com China 89667 60
ShangHai Biochempartner Co.,Ltd 177-54423994 17754423994 2853530910@QQ.com China 8000 62
TargetMol Chemicals Inc. +1-781-999-5354; +1-00000000000 marketing@targetmol.com United States 32431 58
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
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 9982 58

LY 345899) Spectrum

LY 345899) LY-345899 (LY345899 L-Glutamic acid, N-[4-(3-amino-1,2,5,6,6a,7-hexahydro-1,9-dioxoimidazo[1,5-f]pteridin-8(9H)-yl)benzoyl]- (2S)-2-(4-(3-Amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl)benzamido)pentanedioic acid inhibit,LY345899,LY-345899,Inhibitor,LY 345899,Methylenetetrahydrofolate Dehydrogenase (MTHFD) (2S)-2-[(4-{3-amino-1,9-dioxo-1H,4H,5H,6H,6aH,7H,8H,9H-imidazo[1,5-f]pteridin-8-yl}phenyl)formamido]pentanedioic acid LY 345899, 10 mM in DMSO 10538-99-5