4-Cyanomethoxyphenylboronic acid
Product Information
Molecular Formula
C8H8BNO3
Molecular Weight
176.97
Description
As a boron-containing drug, 4-Cyanomethoxyphenylboronic acid shows great potential in fighting various malignant tumors.
Synonyms
[4-(Cyanomethoxy)phenyl]boronic acid; 4-Cyanomethoxyphenylboronic acid; 4-(cyanomethoxy)phenylboronic acid; (4-(Cyanomethoxy)phenyl)boronicacid
IUPAC Name
[4-(cyanomethoxy)phenyl]boronic acid
SMILES
B(C1=CC=C(C=C1)OCC#N)(O)O
InChI
InChI=1S/C8H8BNO3/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,11-12H,6H2
InChI Key
GKJPNYHKHSLHCC-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
177.0597233 g/mol
Monoisotopic Mass
177.0597233 g/mol
Topological Polar Surface Area
73.5Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
193
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-2021251982-A1 | Methods for treating neurological symptoms associated with lysosomal storage diseases | 2020-02-03 |
| TW-202132298-A | Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use | 2019-11-25 |
| WO-2020163337-A1 | Treatment of ciliopathies using inhibitors of glucosylceramide synthase (gcs) | 2019-02-04 |
| TW-202045167-A | Methods for treating symptoms and disorders associated with lysosomal storage diseases | 2019-02-04 |
| TW-202045168-A | Methods for treating symptoms and disorders associated with lysosomal storage diseases | 2019-02-04 |
| AU-2020218185-A1 | Treatment of ciliopathies using inhibitors of glucosylceramide synthase (GCS) | 2019-02-04 |
| CA-3128039-A1 | Methods for treating symptoms and disorders associated with lysosomal storage diseases | 2019-02-04 |
| CA-3128041-A1 | Methods for treating symptoms and disorders associated with lysosomal storage diseases | 2019-02-04 |
| CA-3128043-A1 | Treatment of ciliopathies using inhibitors of glucosylceramide synthase (gcs) | 2019-02-04 |
| IL-285187-D0 | Methods of treating symptoms and disorders associated with lysosomal storage diseases | 2019-02-04 |
