2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinylboronic acid
Product Information
Molecular Formula
C4H5BN2O4
Molecular Weight
155.90
Description
2,4-Dioxo-1,2,3,4-tetrahydro-5-pyrimidinylboronic Acid is a biomedical compound used in the research and development of antiviral drugs. It plays a pivotal role in studies focusing on the treatment of diseases instigated by viral infections, specifically RNA viruses.
Synonyms
IFLAB-BB F1371-0152; 2,4-DIHYDROXYPYRIMIDINE-5-BORONIC ACID; 2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINYLBORONIC ACID; 2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YLBORONIC ACID; 2,4-DIOXOPYRIMIDINE-5-BORONIC ACID; 1,2,3,4-TETRAHYDRO-2,4-DIOXOPYRIMIDINE-5-BORONIC A
IUPAC Name
(2,4-dioxo-1H-pyrimidin-5-yl)boronic acid
SMILES
B(C1=CNC(=O)NC1=O)(O)O
InChI
InChI=1S/C4H5BN2O4/c8-3-2(5(10)11)1-6-4(9)7-3/h1,10-11H,(H2,6,7,8,9)
InChI Key
PVEJOCQTIVCDNO-UHFFFAOYSA-N
Melting Point
300°C
Flash Point
Not applicable
Purity
95%
Density
1.61 g/cm3
Safety Information
Hazards
H315 - H318 - H335
Precautionary Statement
P261 - P280 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
1
Exact Mass
156.0342368 g/mol
Monoisotopic Mass
156.0342368 g/mol
Topological Polar Surface Area
98.7Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
236
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 |
|---|---|---|
| AU-2017295863-A1 | Inhibitors of cyclin-dependent kinase 7 (CDK7) | 2016-07-13 |
| BR-112019000716-A2 | cyclin dependent kinase inhibitors (cdk7) | 2016-07-13 |
| EP-3484871-A1 | Inhibitors of cyclin-dependent kinase 7 (cdk7) | 2016-07-13 |
| JP-2019527217-A | Inhibitors of cyclin dependent kinase 7 (CDK7) | 2016-07-13 |
| KR-20190038841-A | Inhibitors of cyclin-dependent kinase 7 (CDK7) | 2016-07-13 |
| WO-2018013867-A1 | Inhibitors of cyclin dependnt kinase 7 (cdk7) | 2016-07-13 |
| US-2016280688-A1 | Substituted phenylalanine derivatives | 2013-09-26 |
| WO-2013067302-A1 | Method of treatment | 2011-11-04 |
| EP-2755962-A1 | Azaindazoles | 2011-09-13 |
| US-2014343056-A1 | Azaindazoles | 2011-09-13 |
