3-bromo-6-chloro-1H-pyrazolo[3,4-d]pyrimidine - CAS 944903-06-4
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 |
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 |
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Pyrazolo[n,m-d]Pyrimidine
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