5-(1-Piperidinylmethyl)thiophene-2-boronic acid pinacol ester

Product Information

Molecular Formula:
C16H26BNO2S
Molecular Weight:
307.3
Description
5-(1-Piperidinylmethyl)thiophene-2-boronic acid pinacol ester, with its exceptional structural attributes, assumes a pivotal part in the formulation of pharmaceuticals targeting diverse afflictions such as cancer, inflammation, and neurological disorders. The versatility of this compound renders it an indispensable asset, fostering the advancement of innovative therapeutic remedies by researchers and pharmaceutical enterprises.
Synonyms
1-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]piperidine; 1218790-44-3; 5-(1-Piperidinylmethyl)thiophene-2-boronicacidpinacolester; 1-((5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl)methyl)piperidine; 5-((Piperidine)methyl)-2-thiopheneboronicacidpinacolester; AMTB125
IUPAC Name
1-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]methyl]piperidine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)CN3CCCCC3
InChI
InChI=1S/C16H26BNO2S/c1-15(2)16(3,4)20-17(19-15)14-9-8-13(21-14)12-18-10-6-5-7-11-18/h8-9H,5-7,10-12H2,1-4H3
InChI Key
KDPVLCCGXRCQCV-UHFFFAOYSA-N
Melting Point
64-68 °C
Flash Point
Not applicable
Purity
95%

Safety Information

Hazards
H413

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
307.1777304 g/mol
Monoisotopic Mass
307.1777304 g/mol
Topological Polar Surface Area
49.9Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
355
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
CN-113336751-A High-efficiency salt-induced kinase inhibitor and preparation method thereof 2021-05-31
EA-035173-B1 DERIVATIVES OF ISOCHROME AS PHOSPHOINOSITIDE-3-KINAZ INHIBITORS 2013-12-18
EP-3083617-B1 Isochromene derivatives as phosphoinositide 3-kinases inhibitors 2013-12-18
US-2015166549-A1 Isochromene derivatives as phoshoinositide 3-kinases inhibitors 2013-12-18
US-9321776-B2 Isochromene derivatives as phoshoinositide 3-kinases inhibitors 2013-12-18
JP-6248123-B2 Substituted 1H-pyrrolo [2,3-b] pyridine and 1H-pyrazolo [3,4-b] pyridine derivatives as salt-inducible kinase 2 (SIK2) inhibitors 2012-12-14
US-2014256704-A1 Substituted 1H-Pyrrolo [2, 3-b] pyridine and 1H-Pyrazolo [3, 4-b] pyridine Derivatives as Salt Inducible Kinase 2 (SIK2) Inhibitors 2012-12-14
WO-2014093383-A1 Substituted 1h-pyrrolo [2,3-b] pyridine and 1h-pyrazolo [3, 4-b] pyridine derivatives as salt inducible kinase 2 (sik2) inhibitors 2012-12-14
EP-2726479-A1 Novel inhibitor compounds of phosphodiesterase type 10a 2011-06-30
US-2013005705-A1 Novel inhibitor compounds of phosphodiesterase type 10a 2011-06-30
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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