3-bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine - CAS 944903-06-4

Name: 3-bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB041370
Product Name:	3-bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine
CAS:	944903-06-4
Synonyms:	3-bromo-6-chloro-2H-pyrazolo[3,4-d]pyrimidine; 3-bromo-6-chloro-2H-pyrazolo[3,4-d]pyrimidine

Technical Data

IUPAC Name:	3-bromo-6-chloro-2H-pyrazolo[3,4-d]pyrimidine
Description:	Pyrazolo[3,4-d]pyrimidines have a close structural resemblance to the substrates for the enzyme xanthine oxidase, hypoxanthine (6-hydroxypurine) and xanthine (2,6-dihydroxypurine). These compounds are capable of binding to the enzyme and strongly inhibit its activity. They have been studied for their role in the treatment and prophylaxis of hyperuricemia in human patients as well as potential anti-tumor agents.
Molecular Weight:	233.453
Molecular Formula:	C5H2BrClN4
Canonical SMILES:	C1=NC(=NC2=NNC(=C21)Br)Cl
InChI:	InChI=1S/C5H2BrClN4/c6-3-2-1-8-5(7)9-4(2)11-10-3/h1H,(H,8,9,10,11)
InChI Key:	HITNWCAUPNRMES-UHFFFAOYSA-N
Density:	2.128 g/cm³
Storage:	Sealed in dry, 2-8 °C
LogP:	1.76880

Publication Number	Title	Priority Date
US-2019375753-A1	Pyrazolo-pyrimidin-amino-cycloalkyl compounds and their therapeutic uses	20180605
WO-2019236631-A1	Pyrazolo-pyrimidin-amino-cycloalkyl compounds and their therapeutic uses	20180605
TW-202016112-A	Pyrazolopyrimidine aminocycloalkyl compounds and their medical uses	20180605
EP-3802544-A1	Pyrazolo-pyrimidin-amino-cycloalkyl compounds and their therapeutic uses	20180605
US-11046699-B2	Pyrazolo-pyrimidin-amino-cycloalkyl compounds and their therapeutic uses	20180605

Complexity:	157
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	231.91514
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	231.91514
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2