4-(4-isopropylpiperizinyl)phenylboronic acid, pinacol ester
Product Information
Molecular Formula
C19H31BN2O2
Molecular Weight
330.27
Description
4-(4-isopropylpiperizinyl)phenylboronic acid, pinacol ester can selectively impact cellular pathways, obstructing the expansion and propagation of malignant cells. Moreover, this compound showcases potent anti-inflammatory attributes, bestowing it with potential for effectively managing inflammatory diseases.
Synonyms
1-Isopropyl-4-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperazine; 4-(4-Isopropylpiperizinyl)phenylboronic acid, pinacol ester; 4-(4-Isopropylpiperizinyl)phenylboronic acid pinacol ester; 1-propan-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine; 4-(4-Isopropylpiperizinyl)phenylboronicacid,pinacolester; 1-(Propan-2-yl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine; 4-(4-Isopropylpiperizinyl)phenylboronic acid, pinacol ester
IUPAC Name
1-propan-2-yl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperazine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3CCN(CC3)C(C)C
InChI
InChI=1S/C19H31BN2O2/c1-15(2)21-11-13-22(14-12-21)17-9-7-16(8-10-17)20-23-18(3,4)19(5,6)24-20/h7-10,15H,11-14H2,1-6H3
InChI Key
CSORKGLMGUQQOY-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
330.2478584 g/mol
Monoisotopic Mass
330.2478584 g/mol
Topological Polar Surface Area
24.9Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
409
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-2022040293-A1 | Substituted heteroaryl compounds useful as inhibitors of tlr9 | 2020-08-19 |
| US-2021106588-A1 | Bicyclic heterocycles as fgfr inhibitors | 2019-10-14 |
| WO-2021076602-A1 | Bicyclic heterocycles as fgfr inhibitors | 2019-10-14 |
| TW-202128685-A | Bicyclic heterocycles as fgfr inhibitors | 2019-10-14 |
| AU-2019243099-A1 | 2-cyanopyrimidin-4-yl carbamate or urea derivative or salt thereof, and pharmaceutical composition including same | 2018-03-28 |
| EP-3778576-A1 | 2-cyanopyrimidin-4-yl carbamate or urea derivative or salt thereof, and pharmaceutical composition including same | 2018-03-28 |
| US-2021047301-A1 | 2-cyanopyrimidin-4-yl carbamate or urea derivative or salt thereof, and pharmaceutical composition including same | 2018-03-28 |
| AU-2017308814-A1 | Aureobasidium derivatives and methods of synthesis | 2016-08-08 |
| CA-3033500-A1 | Aureobasidium derivatives and methods of synthesis | 2016-08-08 |
| EP-3497113-A1 | Aureobasidium derivatives and methods of synthesis | 2016-08-08 |
