6-Hydroxypyridine-3-boronic Acid Pinacol Ester
Product Information
Molecular Formula
C11H16NO3B
Molecular Weight
221.06
Description
6-Hydroxypyridine-3-boronic Acid Pinacol Ester (CAS# 1054483-78-1) is used in the preparation of modified C3 Betulinic acid (B330250) derivatives as HIV maturation inhibitors.
Synonyms
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one
IUPAC Name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CNC(=O)C=C2
InChI
InChI=1S/C11H16BNO3/c1-10(2)11(3,4)16-12(15-10)8-5-6-9(14)13-7-8/h5-7H,1-4H3,(H,13,14)
InChI Key
WAUWXCUPDOXYKS-UHFFFAOYSA-N
Boiling Point
401.1 °C at 760 mmHg
Melting Point
196-200 °C
Flash Point
Not applicable
Purity
97 %
Density
1.13 g/cm3
LogP
1.08640
Safety Information
Hazards
H315 - H319
Precautionary Statement
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word
Warning
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
221.1223235 g/mol
Monoisotopic Mass
221.1223235 g/mol
Topological Polar Surface Area
47.6Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
369
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| WO-2021263129-A1 | Kinase inhibitor compounds and compositions and methods of use | 2020-06-26 |
| WO-2021262684-A1 | METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION | 2020-06-22 |
| WO-2021053495-A1 | Bifunctional degraders and their methods of use | 2019-09-16 |
| TW-202123942-A | Brd9 bifunctional degraders and their methods of use | 2019-09-16 |
| WO-2021046315-A2 | Inhibitors of encephalitic alphaviruses | 2019-09-05 |
| WO-2020236688-A1 | Natriuretic peptide receptor a agonists useful for the treatment of cardiometabolic diseases, kidney disease and diabetes | 2019-05-22 |
| US-2020361939-A1 | Modulators of alpha-1 antitrypsin | 2019-05-14 |
| US-2020206216-A1 | Inhibitors of fibroblast activation protein | 2018-12-21 |
| CN-113811529-A | Fibroblast activation protein inhibitor | 2018-12-21 |
| KR-20210092312-A | 3,3-difluoroallylamine or salts thereof and pharmaceutical compositions comprising the same | 2018-12-14 |
