3-Amino-4-fluorophenylboronic Acid Pinacol Ester - CAS 1003575-43-6
Catalog: |
BB000187 |
Product Name: |
3-Amino-4-fluorophenylboronic Acid Pinacol Ester |
CAS: |
1003575-43-6 |
Synonyms: |
2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
IUPAC Name: | 2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
Description: | 3-Amino-4-fluorophenylboronic Acid Pinacol Ester (CAS# 1003575-43-6) is used as a reactant in preparation of LY3009120 as pan-RAF inhibitor with activity against BRAF or RAS mutant tumor cells. |
Molecular Weight: | 237.08 |
Molecular Formula: | C12H17FNO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)F)N |
InChI: | InChI=1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)8-5-6-9(14)10(15)7-8/h5-7H,15H2,1-4H3 |
InChI Key: | VXNIVUKZNDRJBW-UHFFFAOYSA-N |
Appearance: | Solid |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
LogP: | 2.28830 |
Publication Number | Title | Priority Date |
CN-113045582-A | PARP-1/PI3K double-target inhibitor or pharmaceutically acceptable salt thereof, and preparation method and application thereof | 20210205 |
CN-109867667-B | PARP and PI3K dual-target inhibitors containing pyridopyrimidine structure | 20171205 |
US-2021179610-A1 | Parp/pi3k double-target inhibitor containing pyridopyrimidine structure | 20171205 |
CN-109810098-B | PARP-1 and PI3K dual-target inhibitor containing phthalazin-1 (2H) -one structure | 20171121 |
US-10654873-B2 | Cytotoxic agents and conjugates thereof | 20160915 |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.1336371 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.1336371 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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