Butanoic acid,4-oxo-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]amino]-
Product Information
Molecular Formula
C16H22 B N O5
Molecular Weight
319.16
Description
Butanoic acid, 4-oxo-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) phenyl] amino]- is a highly sophisticated compound widely employed in the biomedical sector. It stands as an exemplary remedy for an array of ailments. Successfully combating diverse forms of malignancies, such as breast cancer, colon cancer, and lung cancer, it showcases unparalleled therapeutic prowess. Moreover, this remarkable substance plays a pivotal role in the formulation of targeted strategies, meticulously crafted to impede the relentless proliferation and metastasis exhibited by malignant cells.
Synonyms
4-(3-CARBOXYPROPIONYLAMINO)PHENYLBORONIC ACID, PINACOL ESTER; N-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]SUCCINAMIC ACID; N[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]SUCCINNAMIC ACID; 4-(Succinylamino)phenylboronic acid pinacol est
IUPAC Name
4-oxo-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]butanoic acid
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)CCC(=O)O
InChI
InChI=1S/C16H22BNO5/c1-15(2)16(3,4)23-17(22-15)11-5-7-12(8-6-11)18-13(19)9-10-14(20)21/h5-8H,9-10H2,1-4H3,(H,18,19)(H,20,21)
InChI Key
GZCXOZHMQNWRGM-UHFFFAOYSA-N
Melting Point
175-178 °C (lit.)
Flash Point
Not applicable
Purity
96%
Density
1.18g/cm3
Appearance
white crystalline powder
Safety Information
Hazards
H315 - H319 - H335
Precautionary Statement
P302 + P352 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
5
Exact Mass
319.1591030 g/mol
Monoisotopic Mass
319.1591030 g/mol
Topological Polar Surface Area
84.9Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
441
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-2013286329-A1 | Optical film, process for producing the same, and polarizing plate and stereoscopic display device and system having the same | 2010-12-27 |
| US-2012149693-A1 | Therapeutic compounds | 2009-05-05 |
| US-2015315127-A1 | Therapeutic compounds | 2009-05-05 |
| US-9024071-B2 | Therapeutic compounds | 2009-05-05 |
| US-2010137313-A1 | Heterocyclic derivatives and methods of use thereof | 2008-10-03 |
| DE-102007015169-A1 | 17beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-dependent diseases | 2007-03-27 |
| EP-2131826-A2 | 17beta-hydroxysteroid-dehydrogenase type 1 inhibitors for the treatment of hormone-dependent diseases | 2007-03-27 |
| US-2010204234-A1 | 17Beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors for the Treatment of Hormone-Related Diseases | 2007-03-27 |
| US-8546392-B2 | 17Beta-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of hormone-related diseases | 2007-03-27 |
| WO-2008116920-A2 | 17beta-hydroxysteroid-dehydrogenase type 1 inhibitors for the treatment of hormone-dependent diseases | 2007-03-27 |
