4-(Methylsulfinyl)phenylboronic Acid - CAS 166386-48-7
Catalog: |
BB012277 |
Product Name: |
4-(Methylsulfinyl)phenylboronic Acid |
CAS: |
166386-48-7 |
Synonyms: |
(4-methylsulfinylphenyl)boronic acid; (4-methylsulfinylphenyl)boronic acid |
IUPAC Name: | (4-methylsulfinylphenyl)boronic acid |
Description: | 4-(Methylsulfinyl)phenylboronic Acid (CAS# 166386-48-7) is used in preparation of Macrocyclic Mcl-1 inhibitors for the treatment of multiple Myeloma. |
Molecular Weight: | 184.02 |
Molecular Formula: | C7H9O3SB |
Canonical SMILES: | B(C1=CC=C(C=C1)S(=O)C)(O)O |
InChI: | InChI=1S/C7H9BO3S/c1-12(11)7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3 |
InChI Key: | YOTGALZTDVXUKZ-UHFFFAOYSA-N |
Boiling Point: | 445.5 ℃ at 760 mmHg |
Flash Point: | Not applicable |
Density: | 1.39 g/cm3 |
MDL: | MFCD02093071 |
LogP: | -0.03050 |
Precautionary Statement: | P305 + P351 + P338 |
Publication Number | Title | Priority Date |
WO-2021050700-A1 | Cyclooxygenase-2 inhibitors and uses thereof | 20190913 |
AU-2018318692-A1 | Macrocyclic MCL-1 inhibitors and methods of use | 20170815 |
CA-3073114-A1 | Macrocyclic mcl-1 inhibitors and methods of use | 20170815 |
EP-3668502-A1 | Macrocyclic mcl-1 inhibitors and methods of use | 20170815 |
TW-201920193-A | Macrocyclic MEL-1 inhibitor and method of use | 20170815 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 184.0365455 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 184.0365455 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 76.7 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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