3-Fluoro-4-(N-morpholinomethyl)phenylboronic acid, pinacol ester
Product Information
Molecular Formula
C17H25BFNO3
Molecular Weight
321.19
Description
3-Fluoro-4-(N-morpholinomethyl)phenylboronic acid, pinacol ester is a remarkable biomedicine compound that exhibits immense potential in the therapeutic management of diverse ailments. Its exquisite mode of action involves selective inhibition of pivotal enzymes crucial in the pathogenesis of diseases. The profound pharmacological efficacy of this agent renders it an invaluable entity, combating drug-resistant pathogens and malignancies alike.
Synonyms
4-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)morpholine; 3-FLUORO-4-(N-MORPHOLINOMETHYL)PHENYLBORONIC ACID, PINACOL ESTER; 4-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine; 3-Fluoro-4-(n-morpholinomethyl)phenylboronic acid pinacol ester; 4-{[2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}morpholine; 3-Fluoro-4-(N-morpholinomethyl)phenylboronic acid, pinacol ester; 3-fluoro-4-(morpholin-4-ylmethyl)benzeneboronic acid pinacol ester
IUPAC Name
4-[[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]morpholine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)CN3CCOCC3)F
InChI
InChI=1S/C17H25BFNO3/c1-16(2)17(3,4)23-18(22-16)14-6-5-13(15(19)11-14)12-20-7-9-21-10-8-20/h5-6,11H,7-10,12H2,1-4H3
InChI Key
QINFDPZSZHPUSC-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
321.1911520 g/mol
Monoisotopic Mass
321.1911520 g/mol
Topological Polar Surface Area
30.9Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
399
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-2022048684-A1 | Jnk inhibitor, pharmaceutical composition thereof and use thereof | 2020-09-07 |
| WO-2020210630-A1 | Tricyclic degraders of ikaros and aiolos | 2019-04-12 |
| AU-2020272978-A1 | Tricyclic degraders of Ikaros and Aiolos | 2019-04-12 |
| CN-113677664-A | Tricyclic degradants of IKAROS and AIOLOS | 2019-04-12 |
| EP-3953332-A1 | Tricyclic degraders of ikaros and aiolos | 2019-04-12 |
| KR-20210152515-A | Tricyclic disintegrants of Ikaros and Aiolos | 2019-04-12 |
| CN-113164476-A | Small molecule inhibitor of DYRK1/CLK and application thereof | 2018-09-28 |
| US-2022041590-A1 | Small molecule inhibitors of dyrk/clk and uses thereof | 2018-09-28 |
| US-2020039989-A1 | Small molecule inhibitors of dyrk/clk and uses thereof | 2018-03-01 |
| US-10112950-B2 | Substituted imidazo[1,2-a]pyrazines as LSD1 inhibitors | 2014-07-10 |
