4-Methylpyridine-3-boronic acid pinacol ester

Product Information

Molecular Formula:
C12H18BNO2
Molecular Weight:
219.09
Description
4-Methylpyridine-3-boronic acid pinacol ester is a biomedical product used in the treatment of various diseases. It acts as a potent inhibitor for specific enzymes related to cancer and autoimmune disorders, making it an effective therapeutic option. Additionally, this compound plays a crucial role in drug discovery and development processes, aiding in the design and synthesis of novel pharmaceutical agents.
Synonyms
4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; 4-Methylpyridine-3-boronic acid pinacol ester; 4-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine; (4-METHYLPYRIDIN-3-YL)BORONIC ACID PINACOL ESTER; 4-Methylpyridine-3-boronic acid pinacol ester, 96%; Z1336745167; 2-(4-Methyl-3-pyridyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; Pyridine, 4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
IUPAC Name
4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CN=C2)C
InChI
InChI=1S/C12H18BNO2/c1-9-6-7-14-8-10(9)13-15-11(2,3)12(4,5)16-13/h6-8H,1-5H3
InChI Key
GZYZXNXJTPRMKF-UHFFFAOYSA-N
Melting Point
103-107 °C
Purity
96%
Storage
−20°C

Computed Properties

Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
219.1430590 g/mol
Monoisotopic Mass
219.1430590 g/mol
Topological Polar Surface Area
31.4Ų
Heavy Atom Count
16
Formal Charge
0
Complexity
252
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-113912595-A Compound containing thiazole or thiadiazole structure and application thereof 2021-10-12
US-2022002299-A1 Tricyclic pyridone compounds as jak2 v617f inhibitors 2020-07-02
WO-2022006456-A1 Tricyclic pyridone compounds as jak2 v617f inhibitors 2020-07-02
WO-2021159993-A1 Inhibitors of interleukin-1 receptor associated kinase (irak) /fms-like receptor tyrosine kinase (flt3), pharmaceutical products thereof, and methods thereof 2020-02-14
US-2021269434-A1 Tricyclic compounds as inhibitors of kras 2020-01-10
WO-2021142252-A1 Tricyclic compounds as inhibitors of kras 2020-01-10
WO-2021004535-A1 Cinnolines as inhibitors of hpk 1 2019-07-11
WO-2021004547-A1 Heterocyclic compounds as inhibitors of hpk1 2019-07-11
WO-2020177629-A1 Spiro-substituted pyrimidine-fused cyclic compound, preparation method therefor and medical use thereof 2019-03-01
TW-202031644-A Benzimidazole derivative 2018-11-06
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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