4-(4-Boc-1-Piperazinylcarbonyl)benzeneboronic acid pinacol ester
Product Information
Molecular Formula
C22H33BN2O5
Molecular Weight
416.31882
Description
4-(4-Boc-1-Piperazinylcarbonyl)benzeneboronic acid pinacol ester is a valuable reagent in the biomedical industry. It finds applications in the synthesis of boronic acid-containing pharmaceuticals targeting various diseases such as cancer, diabetes, and inflammation. This compound's unique structure enables it to act as a versatile building block for medicinal chemistry, facilitating the development of new drug candidates.
Synonyms
4-(4-Boc-1-Piperazinylcarbonyl)benzeneboronic acid pinacol ester; 1-Boc-4-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)benzoyl]piperazine; 4-(4-(tert-Butoxycarbonyl)piperazine-1-carbonyl)phenylboronic acid pinacol ester
IUPAC Name
tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazine-1-carboxylate
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C
InChI
InChI=1S/C22H33BN2O5/c1-20(2,3)28-19(27)25-14-12-24(13-15-25)18(26)16-8-10-17(11-9-16)23-29-21(4,5)22(6,7)30-23/h8-11H,12-15H2,1-7H3
InChI Key
QPYOLSJFOCIOHK-UHFFFAOYSA-N
Melting Point
150-160°C
Flash Point
Not applicable
Purity
95%
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
416.2482523 g/mol
Monoisotopic Mass
416.2482523 g/mol
Topological Polar Surface Area
68.3Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
628
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 |
|---|---|---|
| KR-20210076876-A | Novel indazole derivatives and use thereof | 2019-12-16 |
| WO-2021125802-A1 | Novel indazole derivative, and use thereof | 2019-12-16 |
| AU-2018214431-A1 | Derivatives of N-cycloalkyl/heterocycloalkyl-4-(imidazo [1,2-a]pyridine)pyrimidin-2-amine as therapeutic agents | 2017-02-01 |
| JP-2020505419-A | N-cycloalkyl / heterocycloalkyl-4- (imidazo [1,2-a] pyridine) pyrimidin-2-amine derivatives as therapeutic agents | 2017-02-01 |
| US-2020231586-A1 | DERIVATIVES OF N-CYCLOALKYL/HETEROCYCLOALKYL-4-(IMIDAZO[1,2-a]PYRIDINE)PYRIMIDIN-2-AMINE AS THERAPEUTIC AGENTS | 2017-02-01 |
| US-11111245-B2 | Derivatives of N-cycloalkyl/heterocycloalkyl-4-(imidazo[1,2-a]pyridine)pyrimidin-2-amine as therapeutic agents | 2017-02-01 |
| EP-3071205-A1 | Benzopiperazine compositions as bet bromodomain inhibitors | 2013-11-18 |
| EP-3071205-B1 | Benzopiperazine compositions as bet bromodomain inhibitors | 2013-11-18 |
| US-10377769-B2 | Benzopiperazine compositions as BET bromodomain inhibitors | 2013-11-18 |
| US-10703764-B2 | Benzopiperazine compositions as BET bromodomain inhibitors | 2013-11-18 |
