6-Methyl-7-oxo-1-tosyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-boronic Acid Pinacol Ester - CAS 1445993-89-4
Catalog: |
BB009803 |
Product Name: |
6-Methyl-7-oxo-1-tosyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-boronic Acid Pinacol Ester |
CAS: |
1445993-89-4 |
Synonyms: |
6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-pyrrolo[2,3-c]pyridinone; 6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one |
IUPAC Name: | 6-methyl-1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridin-7-one |
Description: | 6-Methyl-7-oxo-1-tosyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-4-boronic Acid Pinacol Ester (CAS# 1445993-89-4 ) is a useful research chemical. |
Molecular Weight: | 428.31 |
Molecular Formula: | C21H25N2O5SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(C(=O)C3=C2C=CN3S(=O)(=O)C4=CC=C(C=C4)C)C |
InChI: | InChI=1S/C21H25BN2O5S/c1-14-7-9-15(10-8-14)30(26,27)24-12-11-16-17(13-23(6)19(25)18(16)24)22-28-20(2,3)21(4,5)29-22/h7-13H,1-6H3 |
InChI Key: | PUQADTQUYBSRPB-UHFFFAOYSA-N |
LogP: | 3.26540 |
Publication Number | Title | Priority Date |
WO-2021068755-A1 | Compound having brd4 inhibitory activity, preparation method therefor and use thereof | 20191008 |
WO-2020216779-A1 | Compounds comprising n-methyl-2-pyridone, and pharmaceutically acceptable salts | 20190424 |
WO-2020219168-A1 | Small molecule bromodomain inhibitors and uses thereof | 20190424 |
CN-112789281-A | Tert-butyl (S) -2- (4- (phenyl) -6H-thieno [3,2-f ] [1,2,4] triazolo [4,3-a ] [1, 4] diazepin-6-yl) acetate derivatives and related compounds as bromodomain BRD4 inhibitors for the treatment of cancer | 20180911 |
US-2021221821-A1 | Tert-butyl (s)-2-(4-(phenyl)-6h-thieno[3, 2-f][1, 2, 4]triazolo[4, 3-a] [1,4]diazepin-6-yl) acetate derivatives and related compounds as bromodomain brd4 inhibitors for treating cancer | 20180911 |
Complexity: | 826 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 428.1577232 |
Formal Charge: | 0 |
Heavy Atom Count: | 30 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 428.1577232 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 86.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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