Isoxazolo[5,4-b]pyridin-3-amine - CAS 92914-74-4

Catalog:	BB040715
Product Name:	Isoxazolo[5,4-b]pyridin-3-amine
CAS:	92914-74-4
Synonyms:	[1,2]oxazolo[5,4-b]pyridin-3-amine

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Computed Properties

IUPAC Name:	[1,2]oxazolo[5,4-b]pyridin-3-amine
Description:	Isoxazolo[5,4-b]pyridin-3-amine (CAS# 92914-74-4) is a useful research chemical.
Molecular Weight:	135.12
Molecular Formula:	C6H5N3O
Canonical SMILES:	C1=CC2=C(N=C1)ON=C2N
InChI:	InChI=1S/C6H5N3O/c7-5-4-2-1-3-8-6(4)10-9-5/h1-3H,(H2,7,9)
InChI Key:	NIHLEQFZWNKMEY-UHFFFAOYSA-N
Boiling Point:	336.6 °C at 760 mmHg
Density:	1.421 g/cm³
MDL:	MFCD04117798
LogP:	1.38620

Publication Number	Title	Priority Date
US-2017145009-A1	Heterocyclic compounds that inhibit the kinase activity of mnk useful for treating various cancers	20151120
WO-2017034420-A1	Inhibitors of tryptophan dioxygenases (ido1 and tdo) and their use in therapy	20150827
AU-2015302908-A1	Inhibitors of tryptophan dioxygenases (IDO1 and TDO) and their use in therapy	20140813
AU-2015302908-B2	Inhibitors of tryptophan dioxygenases (IDO1 and TDO) and their use in therapy	20140813
AU-2020203116-A1	INHIBITORS OF TRYPTOPHAN DIOXYGENASES (IDO1 and TDO) AND THEIR USE IN THERAPY	20140813

PMID	Publication Date	Title	Journal
14714858	20030701	Synthesis and antiproliferative activity in vitro of new 3-substituted aminoisoxazolo[5,4-b]pyridines	Acta poloniae pharmaceutica

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Related Functional Groups

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[54535-14-7]
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GHS Hazard Statement:	H302 (100%): 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:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.043261791
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	135.043261791
Rotatable Bond Count:	0
Topological Polar Surface Area:	64.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6