9-Methylguanine - CAS 5502-78-3

Catalog:	BB028889
Product Name:	9-Methylguanine
CAS:	5502-78-3
Synonyms:	2-amino-9-methyl-1H-purin-6-one

Technical Data

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Computed Properties

IUPAC Name:	2-amino-9-methyl-1H-purin-6-one
Description:	9-Methylguanine (CAS# 5502-78-3) is a useful research chemical.
Molecular Weight:	165.15
Molecular Formula:	C6H7N5O
Canonical SMILES:	CN1C=NC2=C1N=C(NC2=O)N
InChI:	InChI=1S/C6H7N5O/c1-11-2-8-3-4(11)9-6(7)10-5(3)12/h2H,1H3,(H3,7,9,10,12)
InChI Key:	UUWJNBOCAPUTBK-UHFFFAOYSA-N
Boiling Point:	503.9 °C at 760 mmHg
Density:	1.83 g/cm³
MDL:	MFCD00037988
LogP:	-0.18000

Publication Number	Title	Priority Date
US-11028379-B1	FCE mRNA capping enzyme compositions, methods and kits	20210127
WO-2021209419-A1	Bi- and monocyclic nucleoside analogs for treatment of hepatitis e	20200414
WO-2021209425-A1	Alkynyl nucleoside analogs for treatment of hepatitis e	20200414
WO-2021207641-A1	Antisense oligonucleotide (aso) molecules and uses thereof for coronavirus diseases	20200410
WO-2021124249-A1	Use of hyaluronic acid derivatives in the regeneration of bone and cartilage tissues	20191220

PMID	Publication Date	Title	Journal
22946514	20121015	Theoretical studies of chemical reactivity of metabolically activated forms of aromatic amines toward DNA	Chemical research in toxicology
22903512	20121014	Factors that influence the antiproliferative activity of half sandwich Ru(II)-[9]aneS3 coordination compounds: activation kinetics and interaction with guanine derivatives	Dalton transactions (Cambridge, England : 2003)
22380407	20121001	A study of clinico-pathological parameters and O⁶-methylguanine DNA methyltransferase (MGMT) promoter methylation status in the prognostication of gliosarcoma	Neuropathology : official journal of the Japanese Society of Neuropathology
22549111	20120907	MGMT inhibition restores ERα functional sensitivity to antiestrogen therapy	Molecular medicine (Cambridge, Mass.)
22911013	20120901	New treatment options with cytotoxic agents in neuroendocrine tumours	Targeted oncology

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Related Functional Groups

Purines

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2,6-Diaminopurine
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[937599-53-6]
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[93703-24-3]
8-Bromo-3,9-dihydro-3-methyl-1H-purine-2,6-dione

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Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.06505986
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	165.06505986
Rotatable Bond Count:	0
Topological Polar Surface Area:	85.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9