1-Boc-2,3,6,7-tetrahydro-1H-azepine-4-boronic Acid Pinacol Ester - CAS 1268816-65-4
Catalog: |
BB006696 |
Product Name: |
1-Boc-2,3,6,7-tetrahydro-1H-azepine-4-boronic Acid Pinacol Ester |
CAS: |
1268816-65-4 |
Synonyms: |
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,6,7-tetrahydroazepine-1-carboxylic acid tert-butyl ester; tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,6,7-tetrahydroazepine-1-carboxylate |
IUPAC Name: | tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,6,7-tetrahydroazepine-1-carboxylate |
Description: | 1-Boc-2,3,6,7-tetrahydro-1H-azepine-4-boronic Acid Pinacol Ester (CAS# 1268816-65-4) is a reagent used in the preparation of heteroarylcarboxamides and arylcarboxamides as inhibitors of WDR5 protein-protein binding. |
Molecular Weight: | 323.24 |
Molecular Formula: | C17H30NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CCCN(CC2)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C17H30BNO4/c1-15(2,3)21-14(20)19-11-8-9-13(10-12-19)18-22-16(4,5)17(6,7)23-18/h9H,8,10-12H2,1-7H3 |
InChI Key: | FUEVBSUAXZQOGV-UHFFFAOYSA-N |
MDL: | MFCD19689424 |
LogP: | 3.51300 |
Publication Number | Title | Priority Date |
US-2021253556-A1 | Inhibitors of ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) and methods of use thereof | 20200204 |
WO-2021158829-A1 | Inhibitors of ectonucleotide pyrophosphatase/phosphodiesterase 1 (enpp1) and methods of use thereof | 20200204 |
US-2020199148-A1 | Thienopyridine inhibitors of ripk2 | 20181221 |
KR-20210106506-A | Thienopyridine inhibitor of RIPK2 | 20181221 |
US-2019233425-A1 | Gcn2 inhibitors and uses thereof | 20180129 |
Complexity: | 477 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 323.2267886 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 323.2267886 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 48 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Boronic Acids and Esters
-
[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
-
[766549-26-2]
2-Chloro-4-hydroxyphenylboronic Acid
-
[10365-98-7]
3-Methoxybenzeneboronic Acid
-
[470478-90-1]
4-(4-Boc-piperazino)phenylboronic Acid Pinacol Ester
-
[937796-06-0]
4-(3,5-Dimethyl-1-pyrazolyl)phenylboronic Acid Pinacol Ester
-
[1257724-90-5]
2-(3-Hydroxyphenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS