[5-(cyclohexylcarbamoyl)-2-fluorophenyl]boronic acid
Product Information
Molecular Formula
C13H17BFNO3
Molecular Weight
265.09
Description
[5-(cyclohexylcarbamoyl)-2-fluorophenyl]boronic acid is a bioactive compound widely used in biomedical applications. Notably, it's involved in the synthesis of pharmaceutical drugs for treating cancer. It's role in targeted therapy due to its boron-functional group is crucial.
Synonyms
5-(Cyclohexylcarbamoyl)-2-fluorobenzeneboronic acid; 5-(Cyclohexylcarbmoyl)-2-fluorobenzeneboronic acid; [5-(cyclohexylcarbamoyl)-2-fluoranyl-phenyl]boronic acid; [5-[(cyclohexylamino)-oxomethyl]-2-fluorophenyl]boronic acid; [5-(cyclohexylcarbamoyl)-2-fluorophenyl]boronic acid
IUPAC Name
[5-(cyclohexylcarbamoyl)-2-fluorophenyl]boronic acid
SMILES
B(C1=C(C=CC(=C1)C(=O)NC2CCCCC2)F)(O)O
InChI
InChI=1S/C13H17BFNO3/c15-12-7-6-9(8-11(12)14(18)19)13(17)16-10-4-2-1-3-5-10/h6-8,10,18-19H,1-5H2,(H,16,17)
InChI Key
YASQSGZTGZDSLB-UHFFFAOYSA-N
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
265.1285517 g/mol
Monoisotopic Mass
265.1285517 g/mol
Topological Polar Surface Area
69.6Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
310
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-2017226005-A1 | Inhibitors of WDR5 protein-protein binding | 2016-03-01 |
| EP-3423437-A1 | Inhibitors of wdr5 protein-protein binding | 2016-03-01 |
| JP-2019507179-A | Inhibitors of WDR5 protein-protein binding | 2016-03-01 |
| US-2019119264-A1 | Inhibitors of wdr5 protein-protein binding | 2016-03-01 |
| WO-2017147701-A1 | Inhibitors of wdr5 protein-protein binding | 2016-03-01 |
| US-11174250-B2 | Substituted carboxamides as inhibitors of WDR5 protein-protein binding | 2016-03-01 |
| AU-2013305759-A1 | Compounds for the treatment of paramoxyvirus viral infections | 2012-08-23 |
| AU-2013305759-A2 | Compounds for the treatment of paramoxyvirus viral infections | 2012-08-23 |
| AU-2013305759-B2 | Compounds for the treatment of paramoxyvirus viral infections | 2012-08-23 |
| AU-2013305759-C1 | Compounds for the treatment of paramoxyvirus viral infections | 2012-08-23 |
