4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
Product Information
Molecular Formula
C13H17BN2O2
Molecular Weight
244.10
Description
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine is a potent compound extensively employed in the realm of biomedical research. It manifests a noteworthy propensity as an efficacious anti-cancer entity that selectively perturbs signaling cascades intrinsically linked to cellular proliferation and exquisite growth. Currently, studies have characterized its preclinical efficacy, supporting its use in drug development for a variety of malignancies (including but not limited to breast, lung, and colon tumors).
Synonyms
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE; 7-Azaindole-4-boronic acid pinacol ester; 1H-Pyrrolo[2,3-b]pyridine, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-; 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine; 1H-Pyrrolo[2,3-B]pyridine-4-boronicacidpinacolester; Z1317588769; 1H-Pyrrolo[2,3-b]pyridine,4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-; 4-(4,4,5,5-Tetramethyl-[1,3,2]dioxa borolan-2-yl)-1H-pyrrolo[2,3-b]pyridine; 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine; 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
IUPAC Name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C=CNC3=NC=C2
InChI
InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)10-6-8-16-11-9(10)5-7-15-11/h5-8H,1-4H3,(H,15,16)
InChI Key
OYFHAWAVFVJOBN-UHFFFAOYSA-N
Flash Point
Not applicable
Safety Information
Hazards
H301
Precautionary Statement
P301 + P310
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-2021143821-A1 | Fused heteroaryl derivative, preparation method therefor, and application thereof in medicine | 2020-01-17 |
| CN-113135942-A | Condensed pyrimidine derivative, preparation method and medical application thereof | 2020-01-17 |
| CN-113004303-A | Pyrimido-oxazine tricyclic derivative, preparation method and application thereof in medicine | 2019-12-18 |
| WO-2021105474-A1 | New compounds for treatment of diseases related to dux4 expression | 2019-11-29 |
| US-2021107901-A1 | Bicyclic amines as cdk2 inhibitors | 2019-10-11 |
| WO-2021072232-A1 | Bicyclic amines as cdk2 inhibitors | 2019-10-11 |
| TW-202128684-A | Bicyclic amines as cdk2 inhibitors | 2019-10-11 |
| US-2021078996-A1 | Hpk1 antagonists and uses thereof | 2019-09-13 |
| US-2021078997-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 2019-09-13 |
| US-2021078998-A1 | SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS | 2019-09-13 |
