6-Iodopurine - CAS 2545-26-8

Catalog:	BB018913
Product Name:	6-Iodopurine
CAS:	2545-26-8
Synonyms:	9H-Purine, 6-iodo-; 1H-Purine, 6-iodo-; 6-Iodo-9H-purine; Purine, 6-iodo-; NSC 25803

Technical Data

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Literatures

Computed Properties

IUPAC Name:	6-iodo-7H-purine
Molecular Weight:	246.01
Molecular Formula:	C5H3IN4
Canonical SMILES:	C1=NC2=C(N1)C(=NC=N2)I
InChI:	InChI=1S/C5H3IN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10)
InChI Key:	NIBFSSALYRLHPY-UHFFFAOYSA-N
Boiling Point:	260.4±50.0°C at 760 mmHg
Purity:	≥95%
Density:	2.66±0.1 g/cm3
Appearance:	Solid
Storage:	Store at 2-8°C
MDL:	MFCD00022649
LogP:	0.95750

Publication Number	Title	Priority Date
JP-2021070665-A	Cyclopentene derivative and method for producing cyclopentene derivative	20191101
WO-2020033784-A1	Transglutaminase 2 (tg2) inhibitors	20180810
TW-202023553-A	Transglutaminase 2 (tg2) inhibitors	20180810
AU-2019318543-A1	Transglutaminase 2 (TG2) inhibitors	20180810
CN-112789040-A	Transglutaminase 2(TG2) inhibitors	20180810

PMID	Publication Date	Title	Journal
15527280	20041112	A facile and efficient synthesis of (Purin-6-yl)alanines	The Journal of organic chemistry
14601982	20031113	6-Magnesiated purines: preparation and reaction with aldehydes	Organic letters
11514175	20010820	Synthesis of 6-(2-thienyl)purine nucleoside derivatives that form unnatural base pairs with pyridin-2-one nucleosides	Bioorganic & medicinal chemistry letters
7503772	19951109	Structure-activity relationships for the binding of ligands to xanthine or guanine phosphoribosyl-transferase from Toxoplasma gondii	Biochemical pharmacology

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Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.94024
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	245.94024
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8