2-Amino-3-nitropyridine-5-boronic acid, pinacol ester
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
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
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
265.1233862 g/mol
Monoisotopic Mass
265.1233862 g/mol
Topological Polar Surface Area
103Ų
Heavy Atom Count
19
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 |
|---|---|---|
| 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 |
