Methyl 4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzoate , 97% , 155405-80-4

CAS NO.：155405-80-4

Empirical Formula: C16H16N4O3

Molecular Weight: 312.32

MDL number: MFCD17976681

EINECS: 1806241-263-5

PRODUCT Properties

• Melting point: >220 °C
• Density: 1.44
• storage temp.: Keep in dark place,Inert atmosphere,Room temperature
• solubility: DMSO (Slightly), Methanol (Very Slightly, Heated)
• form: Solid
• pka: 11.21±0.20(Predicted)
• color: Off-White to Pale Beige
• InChI: InChI=1S/C16H16N4O3/c1-23-15(22)10-5-2-9(3-6-10)4-7-11-8-18-13-12(11)14(21)20-16(17)19-13/h2-3,5-6,8H,4,7H2,1H3,(H4,17,18,19,20,21)
• InChIKey: GDEKSBCRJKAARB-UHFFFAOYSA-N
• SMILES: C(OC)(=O)C1=CC=C(CCC2C3C(=O)NC(N)=NC=3NC=2)C=C1

Description and Uses

An intermediate in the preparation of Pemetrexed Disodium (P219500) and its derivatives as anticancer agents.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319
• Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
• HS Code: 2933.99.8290