3-Bromo-4-chloro-1H-pyrazolo[3,4-d]pyrimidine - CAS 90914-41-3

Catalog:	BB055273
Product Name:	3-Bromo-4-chloro-1H-pyrazolo[3,4-d]pyrimidine
CAS:	90914-41-3
Synonyms:	3-Bromo-4-chloro-1H-pyrazolo[3,4-d]pyrimidine; 3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine; 1H-PYRAZOLO[3,4-D]PYRIMIDINE, 3-BROMO-4-CHLORO-

Technical Data

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Patents

Computed Properties

IUPAC Name:	3-bromo-4-chloro-2H-pyrazolo[3,4-d]pyrimidine
Molecular Weight:	233.45
Molecular Formula:	C5H2BrClN4
Canonical SMILES:	C1=NC2=NNC(=C2C(=N1)Cl)Br
InChI:	InChI=1S/C5H2BrClN4/c6-3-2-4(7)8-1-9-5(2)11-10-3/h1H,(H,8,9,10,11)
InChI Key:	MDFHFCAMBZNSLV-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2021123798-A1	1h-pyrazolo[3,4-d]pyrimidine compounds useful for the treatment of platinum-resistant cancer	20191219
CN-110526921-B	Compound with anti-inflammatory effect and preparation method and application thereof	20190807
TW-202023628-A	Novel cyclic dinucleotide derivatives and antibody-drug conjugates	20180906
CN-112714649-A	Novel cyclic dinucleotide derivatives and antibody drug conjugates thereof	20180906
BR-112021003472-A2	cyclic dinucleotide derivative and antibody-drug conjugate thereof	20180906
EP-3848054-A1	Novel cyclic dinucleotide derivative and antibody-drug conjugate thereof	20180906
IL-281247-D0	New derivatives of cyclic dinucleotides and their drug-antibody couplings	20180906
JP-WO2020050406-A1	New cyclic dinucleotide derivative and its antibody drug conjugate	20180906
KR-20210057066-A	Novel Cyclic Dinucleotide Derivatives and Antibody Drug Conjugates	20180906
US-2022008549-A1	Novel cyclic dinucleotide derivative and antibody-drug conjugate thereof	20180906

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GHS Hazard Statement:	H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

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:	54.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2