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2-Amino-3-nitropyridine-5-boronic acid, pinacol ester

2-Amino-3-nitropyridine-5-boronic acid, pinacol ester

Inquiry

Molecular Formula:

C11H16BN3O4

Molecular Weight:

265.1

CAS Number:

1032758-80-7

Catalog Number:

1032758-80-7

Product Information

Molecular Formula:

C11H16BN3O4

Molecular Weight:

265.1

Description

2-Amino-3-nitropyridine-5-boronic acid, pinacol ester is a crucial intermediate in the production of pharmaceutical drugs. Mostly used in oncology, it helps in devising effective medicines for treating various types of cancer by inhibiting crucial enzymes and proteins involved in cell proliferation.

Synonyms

3-Nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

IUPAC Name

3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C11H16BN3O4/c1-10(2)11(3,4)19-12(18-10)7-5-8(15(16)17)9(13)14-6-7/h5-6H,1-4H3,(H2,13,14)

InChI Key

HXMCKJVPNJJZTO-UHFFFAOYSA-N

Melting Point

169-174 °C

Flash Point

Not applicable

Purity

95%

Safety Information

Hazards

H315 - H319 - H335

Precautionary Statement

P261 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

265.1233862 g/mol

Monoisotopic Mass

265.1233862 g/mol

Topological Polar Surface Area

103Å²

Heavy Atom Count

Formal Charge

Complexity

355

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
US-2014080810-A1	Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture	2010-11-15
AU-2010249790-A1	Benzoxazepines based P13K/mT0R inhibitors against proliferative diseases	2009-05-22
EP-2432779-A1	Benzoxazepines based p13k/mt0r inhibitors against proliferative diseases	2009-05-22
US-2010298290-A1	Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture	2009-05-22
US-8648066-B2	Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture	2009-05-22
WO-2010135524-A1	Benzoxazepines based p13k/mt0r inhibitors against proliferative diseases	2009-05-22
AU-2007329352-A1	Phosphoinositide 3-kinase inhibitor compounds and methods of use	2006-12-07
AU-2007329352-B2	Phosphoinositide 3-kinase inhibitor compounds and methods of use	2006-12-07
CA-2671782-A1	Phosphoinositide 3-kinase inhibitor compounds and methods of use	2006-12-07
EP-2114949-A1	Phosphoinositide 3-kinase inhibitor compounds and methods of use	2006-12-07

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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