2-Chloro-6-methoxypurine - CAS 1198-46-5

Catalog:	BB004670
Product Name:	2-Chloro-6-methoxypurine
CAS:	1198-46-5
Synonyms:	2-chloro-6-methoxy-7H-purine; 2-chloro-6-methoxy-7H-purine

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-6-methoxy-7H-purine
Description:	2-Chloro-6-methoxypurine (CAS# 1198-46-5) is a useful research chemical.
Molecular Weight:	184.58
Molecular Formula:	C6H5ClN4O
Canonical SMILES:	COC1=NC(=NC2=C1NC=N2)Cl
InChI:	InChI=1S/C6H5ClN4O/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H,8,9,10,11)
InChI Key:	MTDSMFYWSAISJR-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	1.01490

Publication Number	Title	Priority Date
WO-2018049534-A1	Nucleoside and nucleotide analogues bearing a quaternary all-carbon stereogenic center at the 2' position and methods of use as a cardioprotective agent	20160916
EP-3512860-B1	Nucleoside and nucleotide analogues bearing a quaternary all-carbon stereogenic center at the 2' position and methods of use as a cardioprotective agent	20160916
AU-2016219102-A1	LRRK2 inhibitors and methods of making and using the same	20150213
CA-2976109-A1	Lrrk2 inhibitors and methods of making and using the same	20150213
EP-3256475-A2	Lrrk2 inhibitors and methods of making and using the same	20150213

PMID	Publication Date	Title	Journal
23434367	20130401	6-Oxo and 6-thio purine analogs as antimycobacterial agents	Bioorganic & medicinal chemistry

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Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.0151885
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	184.0151885
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1