Synonym: LY 264618 hydrate; N-[4-[2-[(6R)-2-amino-3,4,5,6,7,8-hexahydro-4-oxopyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl]-L-glutamic acid hydrate
CAS Number: 106400-81-1 (anhydrous)
Empirical Formula (Hill Notation): C21H25N5O6 · xH2O
Molecular Weight: 443.45 (anhydrous basis)
Linear Formula: C21H25N5O6 · xH2O
Product Type: Chemical
| assay |
≥95% (HPLC) |
| color |
white to light yellow |
| form |
powder |
| InChI |
1S/C21H25N5O6.H2O/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28;/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30);1H2/t12-,15+;/m1./s1 |
| InChI key |
AEFQSKJUVDZANQ-YLCXCWDSSA-N |
| Quality Level |
100  |
| SMILES string |
O.NC1=NC(=O)C2=C(NC[C@H](CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)C2)N1 |
| solubility |
DMSO: ≥5 mg/mL |
| storage temp. |
2-8°C |
| Application: |
Lometrexol hydrate was used to compare the biological activity of potent inhibitor of human GARFTase. |
| Biochem/physiol Actions: |
Glycinamide Ribonucleotide Formyltransferase (GARFTase) is a folate-dependent enzyme required for de novo purine synthesis. Lometrexate is a potent inhibitor of GARFTase, but does not interfere with enzymes involved in the synthesis of folate. Lometrexerol has been tested clinically for the treatment of various cancers as an anti-folate like agent, similar to methotrexate. Treatment with lometrexol rapidly decreases ATP and GTP levels, cell cycle arrest and induces apoptosis. Although depletion of nucleotide pools induces p53 expression, lometrexol is cytotoxic in both wild-type and mutant p53 expressing tumor cells. Lometrexol is cytotoxic in CCRF-CEm leukemia cells with an IC50 of 2.9 nM. |
| Biochem/physiol Actions: |
Glycinamide ribonucleotide formyltransferase inhibitor |
| Packaging: |
5, 25 mg in glass bottle |
| Symbol |
 GHS06 |
| Signal word |
Danger |
| Hazard statements |
H301 |
| Precautionary statements |
P301 + P310 |
| Hazard Codes |
T |
| Risk Statements |
25 |
| Safety Statements |
45 |
| RIDADR |
UN 2811 6.1 / PGIII |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
≥95% (HPLC) |
| Storage Temp. |
2-8°C |
| UNSPSC |
12352200 |
