7-Deazaguanine - CAS 7355-55-7

Catalog:	BB034862
Product Name:	7-Deazaguanine
CAS:	7355-55-7
Synonyms:	2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one; 2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

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Computed Properties

IUPAC Name:	2-amino-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Description:	7-Deazaguanine (CAS# 7355-55-7) is a compound useful in organic synthesis.
Molecular Weight:	150.14
Molecular Formula:	C6H6N4O
Canonical SMILES:	C1=CNC2=C1C(=O)NC(=N2)N
InChI:	InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)
InChI Key:	OLAFFPNXVJANFR-UHFFFAOYSA-N
Boiling Point:	452.7 °C at 760 mmHg
Density:	1.87 g/cm³
MDL:	MFCD00079103
LogP:	0.41460

Publication Number	Title	Priority Date
WO-2021091986-A1	Interleukin 10 conjugates and uses thereof	20191104
WO-2021072167-A1	Compositions and methods for in vivo synthesis of unnatural polypeptides	20191010
WO-2021067313-A1	Eukaryotic semi-synthetic organisms	20190930
US-2021070827-A1	Il-2 conjugates and methods of use to treat autoimmune diseases	20190910
WO-2021050554-A1	Il-2 conjugates and methods of use to treat autoimmune diseases	20190910

PMID	Publication Date	Title	Journal
25884661	20150415	The queuine micronutrient: charting a course from microbe to man	Nutrients
23453067	20130401	Synthesis and evaluation against hepatitis C virus of 7-deaza analogues of 2'-C-methyl-6-O-methyl guanosine nucleoside and L-Alanine ester phosphoramidates	Bioorganic & medicinal chemistry letters
22690148	20120401	First total synthesis of a naturally occurring iodinated 5'-deoxyxylofuranosyl marine nucleoside	Marine drugs
22509220	20120101	Azobenzene dye-coupled quadruply hydrogen-bonding modules as colorimetric indicators for supramolecular interactions	Beilstein journal of organic chemistry
22059929	20111201	Altering the electrostatic potential in the major groove: thermodynamic and structural characterization of 7-deaza-2'-deoxyadenosine:dT base pairing in DNA	The journal of physical chemistry. B

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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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.05416083
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	150.05416083
Rotatable Bond Count:	0
Topological Polar Surface Area:	83.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.8