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
Canonical 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
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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