5-(Morpholinomethyl)-2-thiopheneboronic acid pinacol ester

Product Information

Molecular Formula:
C15H24BNO3S
Molecular Weight:
309.23
Description
5-(Morpholinomethyl)-2-thiopheneboronic acid pinacol ester is a remarkable biomedicine compound renowned for its multifaceted therapeutic applications and has garnered substantial attention in the realm of disease management. Famed as a potential inhibitor for specific enzymes, it exhibits promising efficacy in combatting an array of cancers and inflammatory afflictions.
Synonyms
4-[[5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thienyl]methyl]-morpholine
IUPAC Name
4-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]morpholine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)CN3CCOCC3
InChI
InChI=1S/C15H24BNO3S/c1-14(2)15(3,4)20-16(19-14)13-6-5-12(21-13)11-17-7-9-18-10-8-17/h5-6H,7-11H2,1-4H3
InChI Key
CNLWVADWZRQAFZ-UHFFFAOYSA-N
Melting Point
91-96 °C
Flash Point
Not applicable
Purity
95%

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
309.1569950 g/mol
Monoisotopic Mass
309.1569950 g/mol
Topological Polar Surface Area
59.2Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
358
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-2021262684-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION 2020-06-22
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
WO-2019169306-A1 Compounds, compositions, and methods for suppressing toxic endoplasmic reticulum stress 2018-03-01
AU-2019226571-A1 Compounds, compositions, and methods for suppressing toxic endoplasmic reticulum stress 2018-03-01
CA-3092828-A1 Compounds, compositions, and methods for suppressing toxic endoplasmic reticulum stress 2018-03-01
EP-3759072-A1 Compounds, compositions, and methods for suppressing toxic endoplasmic reticulum stress 2018-03-01
US-2021040091-A1 Compounds, compositions, and methods for suppressing toxic endoplasmic reticulum stress 2018-03-01
JP-2021518856-A Compounds, compositions, and methods for controlling toxic endoplasmic reticulum stress 2018-03-01
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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