6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[3,2-B]PYRIDINE

Product Information

Molecular Formula:
C13H17BN2O2
Molecular Weight:
262.11256
Description
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine is a very effective and versatile compound. The field of biomedicine focuses on the effective eradication of different types of tumors. This extraordinary drug works as an outstanding targeted therapy, carefully inhibiting the action of enzymes that promote tumor development and malignancy.
Synonyms
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine; 1H-PYRROLO[3,2-B]PYRIDINE-6-BORONIC ACID PINACOL ESTER; (1h-pyrrolo[3,2-b]pyridin-6-yl)boronic acid pinacol ester; 6-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine; 1H-Pyrrolo[3,2-B]pyridine-6-boronicacidpinacolester; 6-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine; 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine
IUPAC Name
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[3,2-b]pyridine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=CN3)N=C2
InChI
InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)9-7-11-10(16-8-9)5-6-15-11/h5-8,15H,1-4H3
InChI Key
LVVACKKTPDWXJM-UHFFFAOYSA-N
Flash Point
Not applicable
Purity
95%

Computed Properties

Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
244.1383080 g/mol
Monoisotopic Mass
244.1383080 g/mol
Topological Polar Surface Area
47.1Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
319
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-2021249913-A9 2'-(quinolin-3-yl)-5',6'-dihydrospiro[azetidine-3,4'-pyrrolo[1,2-b]pyrazole]-1-carboxylate derivatives and related compounds as map4k1 (hpk1) inhibitors for the treatment of cancer 2020-06-09
JP-2020502092-A Bicyclo [1.1.1] pentane inhibitors of dual leucine zipper (DLK) kinase for the treatment of disease 2016-12-08
EP-3538518-A1 Substituted quinoxaline derivatives as inhibitors of pfkfb 2016-11-08
IL-266121-D0 Quincosalin history is conserved as pfkfb inhibitor 2016-11-08
JP-2019532998-A Substituted quinoxaline derivatives as PFKFB inhibitors 2016-11-08
US-2019256499-A1 Substituted quinoxaline derivatives as inhibitors of pfkfb 2016-11-08
WO-2018087021-A1 Substituted quinoxaline derivatives as inhibitors of pfkfb 2016-11-08
JP-2019533687-A Pyrazole amide compounds as IRAK inhibitors 2016-10-26
US-10414753-B2 Amide compounds and method for making and using 2016-10-26
US-2018111917-A1 Amide compounds and method for making and using 2016-10-26
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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