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2-(1-Piperazinyl)pyridine-4-boronic acid pinacol ester

2-(1-Piperazinyl)pyridine-4-boronic acid pinacol ester

Inquiry

Molecular Formula:

C15H24BN3O2

Molecular Weight:

289.18

CAS Number:

957198-31-1

Catalog Number:

957198-31-1

Product Information

Molecular Formula:

C15H24BN3O2

Molecular Weight:

289.18

Description

2-(1-Piperazinyl)pyridine-4-boronic acid pinacol ester is an organic compound widely used in biomedicine. It is beneficial in the synthesis of pharmaceutical intermediates. It is often involved in cancer treatment research, especially leukemia research, by inhibiting protein tyrosine kinases.

Synonyms

2-(1-Piperazinyl)-4-pyridineboronic acid pinacol ester

IUPAC Name

1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC=C2)N3CCNCC3

InChI

InChI=1S/C15H24BN3O2/c1-14(2)15(3,4)21-16(20-14)12-5-6-18-13(11-12)19-9-7-17-8-10-19/h5-6,11,17H,7-10H2,1-4H3

InChI Key

LOZSSHYLDBDYSQ-UHFFFAOYSA-N

Melting Point

112-116 °C

Flash Point

Not applicable

Purity

97%

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P302 + P352 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

289.1961572 g/mol

Monoisotopic Mass

289.1961572 g/mol

Topological Polar Surface Area

46.6Å²

Heavy Atom Count

Formal Charge

Complexity

356

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
WO-2021235293-A1	Cug repeat sequence binding agent	2020-05-20
WO-2020160180-A1	Compounds and uses thereof	2019-01-29
AU-2020214308-A1	Compounds and uses thereof	2019-01-29
IL-285177-D0	Compounds and their use	2019-01-29
CN-113645971-A	Compound and use thereof	2019-01-29
EP-3917527-A1	Compounds and uses thereof	2019-01-29
US-2019233425-A1	Gcn2 inhibitors and uses thereof	2018-01-29
WO-2019148132-A1	Gcn2 inhibitors and uses thereof	2018-01-29
AU-2019211485-A1	GCN2 inhibitors and uses thereof	2018-01-29
CN-111918651-A	GCN2 inhibitors and uses thereof	2018-01-29

The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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