N-(4-Phenylboronic)succinamic acid
Product Information
Molecular Formula
(OH)2BC6H4NHCOCH2CH2CO2H
Molecular Weight
237.02
Description
Reactant for:• Construction of combinatorial artificial receptor array (CARA)• Preparation of hydroxycoumarins and pyranocoumarins via Pechmann condensation and Pd-catalyzed Suzuki coupling as antitumor agents
Synonyms
4-((4-Boronophenyl)amino)-4-oxobutanoic acid; N-(4-Phenylboronic)succinamic acid; 4-Succinamidophenylboronic acid; 4-(4-boronoanilino)-4-oxobutanoic acid; 4-(4-boronophenylamino)-4-oxobutanoic acid; 3-{[4-(dihydroxyboranyl)phenyl]carbamoyl}propanoic acid; n-(4-boronophenyl)succinamic acid; N-[4-Benzeneboronic]succinamic acid; n-[4-phenylboronic]-succinamic acid; N-(4-PHENYLBORONIC)SUCCINAMICACID; 4-[(3-carboxypropanoyl)amino]benzeneboronic acid; A827435; N-(4-Phenylboronic)succinamic acid(contains varying amounts of Anhydride)
IUPAC Name
4-(4-boronoanilino)-4-oxobutanoic acid
SMILES
B(C1=CC=C(C=C1)NC(=O)CCC(=O)O)(O)O
InChI
InChI=1S/C10H12BNO5/c13-9(5-6-10(14)15)12-8-3-1-7(2-4-8)11(16)17/h1-4,16-17H,5-6H2,(H,12,13)(H,14,15)
InChI Key
VYUCUZOJUHAJLU-UHFFFAOYSA-N
Melting Point
165-169 °C (lit.)
Flash Point
Not applicable
Computed Properties
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
237.0808526 g/mol
Monoisotopic Mass
237.0808526 g/mol
Topological Polar Surface Area
107Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
276
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 |
|---|---|---|
| KR-101918514-B1 | Environmentally-Responsive Hyaluronic Acid Nanoparticle | 2015-12-24 |
| KR-20170077058-A | Environmentally-Responsive Hyaluronic Acid Nanoparticle | 2015-12-24 |
| US-10555965-B2 | Environment-responsive hyaluronic acid nanoparticles | 2015-12-24 |
| US-2018369276-A1 | Environment-responsive hyaluronic acid nanoparticles | 2015-12-24 |
| WO-2017111536-A1 | Environment-responsive hyaluronic acid nanoparticles | 2015-12-24 |
| KR-101660109-B1 | Glucose-sensitive Nano Particle for Cancer Diagnosis and Therapy | 2014-06-25 |
| KR-20160000984-A | Glucose-sensitive Nano Particle for Cancer Diagnosis and Therapy | 2014-06-25 |
| US-2015374828-A1 | Glucose-sensitive nanoparticle for cancer diagnosis and therapy | 2014-06-25 |
| US-9557332-B2 | Glucose-sensitive nanoparticle for cancer diagnosis and therapy | 2014-06-25 |
| CA-2801487-A1 | Modified c-3 betulinic acid derivatives as hiv maturation inhibitors | 2010-06-04 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 4680 | 1976-04-01 | The role of new health practitioners in a prepaid group practice: provider differences in process and outcomes of medical care | Medical care |
