4-Methoxycyclohexene-1-boronic Acid Pinacol Ester - CAS 1092938-92-5
Catalog: |
BB002427 |
Product Name: |
4-Methoxycyclohexene-1-boronic Acid Pinacol Ester |
CAS: |
1092938-92-5 |
Synonyms: |
2-(4-methoxy-1-cyclohexenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(4-methoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(4-methoxycyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 4-Methoxycyclohexene-1-boronic Acid Pinacol Ester (CAS# 1092938-92-5) is used in the synthetic preparation of pyrazine compounds as phosphodiesterase 10 inhibitors. These inhibitors are useful in the treatment of various disorders and or diseases such as obesity, non-insulin dependent diabetes, schizophrenia, bipolar disorder and obsessive-compulsive disorder. |
Molecular Weight: | 238.13 |
Molecular Formula: | C13H23O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CCC(CC2)OC |
InChI: | InChI=1S/C13H23BO3/c1-12(2)13(3,4)17-14(16-12)10-6-8-11(15-5)9-7-10/h6,11H,7-9H2,1-5H3 |
InChI Key: | PUJKAJRQPDUAFS-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Store in freezer, under -20 °C |
MDL: | MFCD18383325 |
LogP: | 2.74310 |
Publication Number | Title | Priority Date |
WO-2021185298-A1 | Egfr tyrosine kinase inhibitor and use thereof | 20200318 |
WO-2020238900-A1 | Dna-dependent protein kinase inhibitor | 20190527 |
WO-2019220101-A1 | Kinase inhibitors | 20180515 |
EP-3793996-A1 | Kinase inhibitors | 20180515 |
US-2021269417-A1 | Kinase Inhibitors | 20180515 |
Complexity: | 307 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.1740248 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.1740248 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 27.7 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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