2-Aminopurine - CAS 452-06-2

Catalog:	BB025786
Product Name:	2-Aminopurine
CAS:	452-06-2
Synonyms:	7H-purin-2-amine; 7H-purin-2-amine

Technical Data

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Computed Properties

IUPAC Name:	7H-purin-2-amine
Description:	2-Aminopurine (CAS# 452-06-2) is a useful research chemical, a protein kinase inhibitor. 2-Aminopurine is also used in the monitoring and making of DNA nanodevices.
Molecular Weight:	135.13
Molecular Formula:	C5H5N5
Canonical SMILES:	C1=C2C(=NC(=N1)N)N=CN2
InChI:	InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10)
InChI Key:	MWBWWFOAEOYUST-UHFFFAOYSA-N
Boiling Point:	616.3 ℃ at 760 mmHg
Density:	1.612 g/cm³
Solubility:	>20.3 [ug/mL] (The mean of the results at pH 7.4)
MDL:	MFCD00005566
LogP:	0.51630

Publication Number	Title	Priority Date
WO-2021099838-A1	Adenosine receptor antagonist compounds	20191119
AU-2018364807-A1	Purine based compounds as toll-like receptor 9 antagonist	20171108
US-2020347062-A1	Purine based compounds as toll-like receptor 9 antagonist	20171108
AU-2018238079-A1	Novel pyridone carboxylic acid derivative or salt thereof	20170324
JP-WO2018174266-A1	Novel pyridonecarboxylic acid derivative or salt thereof	20170324

PMID	Publication Date	Title	Journal
25739386	20150901	Double Stranded RNA-Dependent Protein Kinase is Necessary for TNF-α-Induced Osteoclast Formation In Vitro and In Vivo	Journal of cellular biochemistry
24150608	20140201	Small-molecule inhibitors of PKR improve glucose homeostasis in obese diabetic mice	Diabetes
23017353	20130201	Dissolution testing and potentiometric determination of famciclovir in pure, dosage forms and biological fluids	Bioelectrochemistry (Amsterdam, Netherlands)
23405061	20130101	A critical role for MAPK signalling pathways in the transcriptional regulation of toll like receptors	PloS one
23070860	20121105	Synthesis and photophysical characterisation of a fluorescent nucleoside analogue that signals the presence of an abasic site in RNA	Chembiochem : a European journal of chemical biology

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.05449518
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	135.05449518
Rotatable Bond Count:	0
Topological Polar Surface Area:	80.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2