2-(1-Piperazinyl)pyridine-4-boronic acid pinacol ester
Product Information
Molecular Formula
C15H24BN3O2
Molecular Weight
289.18
Description
2-(1-Piperazinyl)pyridine-4-boronic acid pinacol ester is an organic compound widely used in biomedicine. It is beneficial in the synthesis of pharmaceutical intermediates. It is often involved in cancer treatment research, especially leukemia research, by inhibiting protein tyrosine kinases.
Synonyms
2-(1-Piperazinyl)-4-pyridineboronic acid pinacol ester
IUPAC Name
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)N3CCNCC3
InChI
InChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)12-5-6-18-13(11-12)19-9-7-17-8-10-19/h5-6,11,17H,7-10H2,1-4H3
InChI Key
LOZSSHYLDBDYSQ-UHFFFAOYSA-N
Melting Point
112-116 °C
Flash Point
Not applicable
Purity
97%
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
2
Exact Mass
289.1961572 g/mol
Monoisotopic Mass
289.1961572 g/mol
Topological Polar Surface Area
46.6Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
356
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-2021235293-A1 | Cug repeat sequence binding agent | 2020-05-20 |
| WO-2020160180-A1 | Compounds and uses thereof | 2019-01-29 |
| AU-2020214308-A1 | Compounds and uses thereof | 2019-01-29 |
| IL-285177-D0 | Compounds and their use | 2019-01-29 |
| CN-113645971-A | Compound and use thereof | 2019-01-29 |
| EP-3917527-A1 | Compounds and uses thereof | 2019-01-29 |
| US-2019233425-A1 | Gcn2 inhibitors and uses thereof | 2018-01-29 |
| WO-2019148132-A1 | Gcn2 inhibitors and uses thereof | 2018-01-29 |
| AU-2019211485-A1 | GCN2 inhibitors and uses thereof | 2018-01-29 |
| CN-111918651-A | GCN2 inhibitors and uses thereof | 2018-01-29 |
