O6-[4-(Aminomethyl)benzyl]guanine - CAS 674799-96-3

Catalog:	BB033292
Product Name:	O6-[4-(Aminomethyl)benzyl]guanine
CAS:	674799-96-3
Synonyms:	6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine; 6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	6-[[4-(aminomethyl)phenyl]methoxy]-7H-purin-2-amine
Description:	A cross linker.
Molecular Weight:	270.29
Molecular Formula:	C13H14N6O
Canonical SMILES:	C1=CC(=CC=C1CN)COC2=NC(=NC3=C2NC=N3)N
InChI:	InChI=1S/C13H14N6O/c14-5-8-1-3-9(4-2-8)6-20-12-10-11(17-7-16-10)18-13(15)19-12/h1-4,7H,5-6,14H2,(H3,15,16,17,18,19)
InChI Key:	UINSGVKWAFJDPI-UHFFFAOYSA-N
Density:	1.433 g/cm³
Appearance:	Solid
MDL:	MFCD22577247
LogP:	2.25430

Publication Number	Title	Priority Date
CN-112266483-A	Side chain modified polyamino acid and preparation method and application thereof	20201222
US-2021171490-A1	Red-shifted fluorophores	20191209
WO-2021055960-A1	Photoproximity profiling of protein-protein interactions in cells	20190920
CN-110201418-B	Cell membrane chromatographic column based on immobilized SNAP-tag fusion protein and preparation method thereof	20190509
US-2019367736-A1	Deuterated fluorophores	20180529

PMID	Publication Date	Title	Journal
18973327	20081127	Substitution of aminomethyl at the meta-position enhances the inactivation of O6-alkylguanine-DNA alkyltransferase by O6-benzylguanine	Journal of medicinal chemistry

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Complexity:	309
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	270.12290909
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	270.12290909
Rotatable Bond Count:	4
Topological Polar Surface Area:	116
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1