2-ethoxypyrimidine-5-boronic acid
Product Information
Molecular Formula
C6H9BN2O3
Molecular Weight
167.96
Description
2-Ethoxypyrimidine-5-boronic acid is primarily used in medicinal chemistry, specifically relevant in the synthesis of certain cancer treatment drugs. It plays a vital role in developing targeted therapies for malignancies related to cell proliferation dysregulation.
Synonyms
(2-Ethoxypyrimidin-5-yl)boronic acid; 2-ethoxypyrimidin-5-ylboronic acid; 2-ethoxy-pyrimidine-5-boronic acid; (2-Ethoxypyrimidin-5-yl)boronicacid
IUPAC Name
(2-ethoxypyrimidin-5-yl)boronic acid
SMILES
B(C1=CN=C(N=C1)OCC)(O)O
InChI
InChI=1S/C6H9BN2O3/c1-2-12-6-8-3-5(4-9-6)7(10)11/h3-4,10-11H,2H2,1H3
InChI Key
VTPBKJXRYUDPAJ-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H302
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
168.0706223 g/mol
Monoisotopic Mass
168.0706223 g/mol
Topological Polar Surface Area
75.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
128
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 |
|---|---|---|
| WO-2020168143-A1 | Substituted bicyclic compounds as farnesoid x receptor modulators | 2019-02-15 |
| AU-2020223316-A1 | Substituted bicyclic compounds as farnesoid X receptor modulators | 2019-02-15 |
| CA-3129533-A1 | Substituted bicyclic compounds as farnesoid x receptor modulators | 2019-02-15 |
| US-2021261535-A1 | Substituted bicyclic compounds as farnesoid x receptor modulators | 2019-02-15 |
| CN-113710656-A | Substituted bicyclic compounds as farnesoid X receptor modulators | 2019-02-15 |
| EP-3924336-A1 | Substituted bicyclic compounds as farnesoid x receptor modulators | 2019-02-15 |
| KR-20210127220-A | Substituted Bicyclic Compounds as Farnesoid X Receptor Modulators | 2019-02-15 |
| US-11254663-B2 | Substituted bicyclic compounds as farnesoid X receptor modulators | 2019-02-15 |
| WO-2020121261-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 2018-12-14 |
| US-2020223827-A1 | 3,3-difluoroallylamines or salts thereof and pharmaceutical compositions comprising the same | 2018-12-14 |
