[1,6]Naphthyridine - CAS 253-72-5

Catalog:	BB018886
Product Name:	[1,6]Naphthyridine
CAS:	253-72-5
Synonyms:	1,6-naphthyridine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1,6-naphthyridine
Description:	[1,6]Naphthyridine (CAS# 253-72-5 ) is a useful research chemical.
Molecular Weight:	130.15
Molecular Formula:	C8H6N2
Canonical SMILES:	C1=CC2=C(C=CN=C2)N=C1
InChI:	InChI=1S/C8H6N2/c1-2-7-6-9-5-3-8(7)10-4-1/h1-6H
InChI Key:	VSOSXKMEQPYESP-UHFFFAOYSA-N
Boiling Point:	267.3 °C at 760 mmHg
Melting Point:	231-233 °C
Purity:	98 %
Density:	1.183 g/cm³
MDL:	MFCD00059750
LogP:	1.62980

Publication Number	Title	Priority Date
WO-2021126995-A1	Methods and compositions for treating cancer	20191220
WO-2021127265-A1	Compounds and probes for imaging huntingtin protein	20191218
WO-2021122745-A1	4-[[(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)amino]methyl]piperidin-3-ol compounds and their therapeutic use	20191216
US-2021188827-A1	Atm kinase inhibitors and compositions and methods of use thereof	20191204
WO-2021113506-A1	Atm kinase inhibitors and compositions and methods of use thereof	20191204

PMID	Publication Date	Title	Journal
27326329	20160609	2,8-Disubstituted-1,6-Naphthyridines and 4,6-Disubstituted-Isoquinolines with Potent, Selective Affinity for CDK8/19	ACS medicinal chemistry letters
22900966	20121022	Exploring the role of water molecules for docking and receptor guided 3D-QSAR analysis of naphthyridine derivatives as spleen tyrosine kinase (Syk) inhibitors	Journal of chemical information and modeling
22472093	20120420	Suberitine A-D, four new cytotoxic dimeric aaptamine alkaloids from the marine sponge Aaptos suberitoides	Organic letters
22321214	20120301	Discovery of 4-hydroxy-1,6-naphthyridine-3-carbonitrile derivatives as novel PDE10A inhibitors	Bioorganic & medicinal chemistry letters
22356552	20120301	Evaluation of WO2011134971, chiral 1,6-napthyridine Syk kinase inhibitors	Expert opinion on therapeutic patents

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	130.053098200
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	130.053098200
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1