2,6-Dimethylpyridine-4-boronic Acid Pinacol Ester - CAS 325142-95-8
Catalog: |
BB021320 |
Product Name: |
2,6-Dimethylpyridine-4-boronic Acid Pinacol Ester |
CAS: |
325142-95-8 |
Synonyms: |
2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
IUPAC Name: | 2,6-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
Description: | 2,6-Dimethylpyridine-4-boronic Acid Pinacol Ester (CAS# 325142-95-8) is a useful research chemical. |
Molecular Weight: | 233.11 |
Molecular Formula: | C13H20NO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC(=C2)C)C |
InChI: | InChI=1S/C13H20BNO2/c1-9-7-11(8-10(2)15-9)14-16-12(3,4)13(5,6)17-14/h7-8H,1-6H3 |
InChI Key: | XYNDKPYVNTVDAH-UHFFFAOYSA-N |
MDL: | MFCD11617853 |
LogP: | 1.99760 |
Publication Number | Title | Priority Date |
WO-2021191378-A1 | 5-amino-8-(4-pyridyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one compounds for use against cancer | 20200326 |
WO-2021191379-A1 | 5-amino-8-(4-pyridyl)-[1,2,4]triazolo[4,3-c]pyrimidin-3-one compounds for use against cancer | 20200326 |
US-2021205311-A1 | Combination Therapy Comprising A2A/A2B and PD-1/PD-L1 Inhibitors | 20200103 |
US-2021230294-A1 | Cd73 inhibitor and a2a/a2b adenosine receptor inhibitor combination therapy | 20200103 |
WO-2021138512-A1 | Combination therapy comprising a2a/a2b and pd-1/pd-l1 inhibitors | 20200103 |
PMID | Publication Date | Title | Journal |
22220592 | 20120308 | Discovery of 1,2,4-triazine derivatives as adenosine A(2A) antagonists using structure based drug design | Journal of medicinal chemistry |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 233.158709 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 233.158709 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 31.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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