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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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