2-(4-Boronophenyl)-2-methylpropanenitrile
Product Information
Molecular Formula
C10H12BNO2
Molecular Weight
189.02
Description
2-(4-boronophenyl)-2-methylpropanenitrile is an integral biochemical compound that holds distinct prominence in both medical and pharmaceutical research, underpinning comprehensive drug synthesis and exploration, particularly for neoplastic and metabolic disorders. Its unique architectural inheritance edifies targeted drug delivery systems, augmenting their potency and precision.
Synonyms
2-(4-Boronophenyl)-2-methylpropanenitrile; [4-(1-Cyano-1-methylethyl)phenyl]-boronic acid
IUPAC Name
[4-(2-cyanopropan-2-yl)phenyl]boronic acid
SMILES
B(C1=CC=C(C=C1)C(C)(C)C#N)(O)O
InChI
InChI=1S/C10H12BNO2/c1-10(2,7-12)8-3-5-9(6-4-8)11(13)14/h3-6,13-14H,1-2H3
InChI Key
BNXBFDTWYHAEIR-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
98%
Safety Information
Hazards
H302
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
189.0961088 g/mol
Monoisotopic Mass
189.0961088 g/mol
Topological Polar Surface Area
64.2Ų
Heavy Atom Count
14
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 |
|---|---|---|
| WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 2019-12-24 |
| WO-2019089626-A1 | Substituted quinoline analogs as aldehyde dehydrogenase 1a1 (aldh1a1) inhibitors | 2017-10-30 |
| EP-3704102-A1 | Substituted quinoline analogs as aldehyde dehydrogenase 1a1 (aldh1a1) inhibitors | 2017-10-30 |
| US-2021179630-A1 | Substituted quinoline analogs as aldehyde dehydrogenase 1a1 (aldh1a1) inhibitors | 2017-10-30 |
| US-2019076401-A1 | Cyanoindazole compounds and uses thereof | 2017-09-08 |
| WO-2019051199-A1 | 6-CYANO-INDAZOLE COMPOUNDS AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) MODULATORS | 2017-09-08 |
| US-10722495-B2 | Cyanoindazole compounds and uses thereof | 2017-09-08 |
| TW-201811799-A | Pyrazolopyrimidine compound and use thereof | 2016-09-09 |
| US-2018072741-A1 | Pyrazolopyrimidine compounds and uses thereof | 2016-09-09 |
| US-2020172545-A1 | Pyrazolopyrimidine compounds and uses thereof | 2016-09-09 |
