2-METHOXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL ACETATE
Product Information
Molecular Formula
C15H21BO5
Molecular Weight
292.14
Description
2-METHOXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL ACETATE has demonstrated potential in drug development against a variety of diseases including arthritis, asthma, and allergic symptoms.
Synonyms
2-METHOXY-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL ACETATE; 4-ACETOXY-3-METHOXYPHENYLBORONIC ACID, PINACOL ESTER
IUPAC Name
[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] acetate
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)OC(=O)C)OC
InChI
InChI=1S/C15H21BO5/c1-10(17)19-12-8-7-11(9-13(12)18-6)16-20-14(2,3)15(4,5)21-16/h7-9H,1-6H3
InChI Key
SQWMSVLBTLTANH-UHFFFAOYSA-N
Melting Point
132-136 °C (lit.)
Flash Point
Not applicable
Purity
95%
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Exact Mass
292.1482039 g/mol
Monoisotopic Mass
292.1482039 g/mol
Topological Polar Surface Area
54Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
380
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-2017152271-A1 | Gak modulators as antivirals | 2014-07-23 |
| US-9822127-B2 | GAK modulators as antivirals | 2014-07-23 |
| WO-2016012536-A1 | Gak modulators as antivirals | 2014-07-23 |
| EP-3016958-A1 | Novel gak modulators | 2013-07-05 |
| US-2016122364-A1 | Novel gak modulators | 2013-07-05 |
| US-9518066-B2 | GAK modulators | 2013-07-05 |
| WO-2015001076-A1 | Novel gak modulators | 2013-07-05 |
| US-2012149693-A1 | Therapeutic compounds | 2009-05-05 |
| US-2015315127-A1 | Therapeutic compounds | 2009-05-05 |
| US-9024071-B2 | Therapeutic compounds | 2009-05-05 |
