Methyl 2-Hydroxy-1,7-naphthyridine-3-carboxylate - CAS 1124194-67-7

Catalog:	BB072589
Product Name:	Methyl 2-Hydroxy-1,7-naphthyridine-3-carboxylate
CAS:	1124194-67-7
Synonyms:	methyl 2-hydroxy-1,7-naphthyridine-3-carboxylate; methyl2-hydroxy-1,7-naphthyridine-3-carboxylate; methyl 2-oxo-1H-1,7-naphthyridine-3-carboxylate; Methyl 2-oxo-1,2-dihydro-1,7-naphthyridine-3-carboxylate

Technical Data

IUPAC Name:	methyl 2-oxo-1H-1,7-naphthyridine-3-carboxylate
Description:	Methyl 2-Hydroxy-1,7-naphthyridine-3-carboxylate (CAS# 1124194-67-7) can be used as a reactant for preparation of thiadiazolylamide derivatives, which are considered to be DNA polymerase theta inhibitors and potentially be used for cancer treatment. This compound can also be used for preparation of quinoline derivatives that serve as α4β7 integrin inhibitors.
Molecular Weight:	204.18
Molecular Formula:	C10H8N2O3
Canonical SMILES:	COC(=O)C1=CC2=C(C=NC=C2)NC1=O
InChI:	InChI=1S/C10H8N2O3/c1-15-10(14)7-4-6-2-3-11-5-8(6)12-9(7)13/h2-5H,1H3,(H,12,13)
InChI Key:	IBMIAKGHPSCWCZ-UHFFFAOYSA-N
References:	Barsanti, P.A., et al. PCT Int. Appl., 396 (2020); Blomgren, P.A., et al. PCT Int. Appl., 404 (2020)..

Complexity:	325
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.05349212
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	204.05349212
Rotatable Bond Count:	2
Topological Polar Surface Area:	68.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3