Synonym
NSC-382035, TYMS inhibitor 19-S, NSC 382035, NSC382035, TYMS In 19-S, TYMS In 19S, TYMS-In-19-S, TYMS-In-19S
IUPAC/Chemical Name
5-[4-[Benzyl(methyl)amino]-3-nitrophenyl]-6-ethylpyrimidine-2,4-diamine
InChi Key
NUFNKYNBZYIQDG-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H22N6O2/c1-3-15-18(19(21)24-20(22)23-15)14-9-10-16(17(11-14)26(27)28)25(2)12-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3,(H4,21,22,23,24)
SMILES Code
NC1=NC(CC)=C(C2=CC=C(N(CC3=CC=CC=C3)C)C([N+]([O-])=O)=C2)C(N)=N1
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
378.44
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1. Tommasino C, Gambardella L, Buoncervello M, Griffin RJ, Golding BT, Alberton M, Macchia D, Spada M, Cerbelli B, d'Amati G, Malorni W, Gabriele L, Giammarioli AM. New derivatives of the antimalarial drug Pyrimethamine in the control of melanoma tumor growth: an in vitro and in vivo study. J Exp Clin Cancer Res. 2016 Sep 6;35(1):137. doi: 10.1186/s13046-016-0409-9. PMID: 27599543; PMCID: PMC5013574.
2. Richardson ML, Croughton KA, Matthews CS, Stevens MF. Structural studies on bioactive compounds. 39. Biological consequences of the structural modification of DHFR-inhibitory 2,4-diamino-6-(4-substituted benzylamino-3-nitrophenyl)-6-ethylpyrimidines ('benzoprims'). J Med Chem. 2004 Jul 29;47(16):4105-8. doi: 10.1021/jm040785+. PMID: 15267250.
3. Robson C, Meek MA, Grunwaldt JD, Lambert PA, Queener SF, Schmidt D, Griffin RJ. Nonclassical 2,4-diamino-5-aryl-6-ethylpyrimidine antifolates: activity as inhibitors of dihydrofolate reductase from Pneumocystis carinii and Toxoplasma gondii and as antitumor agents. J Med Chem. 1997 Sep 12;40(19):3040-8. doi: 10.1021/jm970055k. PMID: 9301666.
