4-(1-(Boc-amino)cyclopropyl)phenylboronic Acid Pinacol Ester - CAS 1313441-88-1
Catalog: |
BB007300 |
Product Name: |
4-(1-(Boc-amino)cyclopropyl)phenylboronic Acid Pinacol Ester |
CAS: |
1313441-88-1 |
Synonyms: |
N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]carbamic acid tert-butyl ester; tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]carbamate |
IUPAC Name: | tert-butyl N-[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]carbamate |
Description: | 4-(1-(Boc-amino)cyclopropyl)phenylboronic Acid Pinacol Ester (CAS# 1313441-88-1) is used in the synthesis of fused pyridine compounds for inhibiting serine-threonine kinase AKT and for treating cancer. |
Molecular Weight: | 359.27 |
Molecular Formula: | C20H30NO4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CC3)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C20H30BNO4/c1-17(2,3)24-16(23)22-20(12-13-20)14-8-10-15(11-9-14)21-25-18(4,5)19(6,7)26-21/h8-11H,12-13H2,1-7H3,(H,22,23) |
InChI Key: | PACZWTPIBAWVLF-UHFFFAOYSA-N |
LogP: | 3.89050 |
Publication Number | Title | Priority Date |
WO-2020228823-A1 | Novel amide compounds and uses thereof | 20190516 |
CN-112047877-A | Novel amide compound and use thereof | 20190516 |
WO-2020103897-A1 | Heterocyclic fused pyrimidine derivative, pharmaceutical composition thereof, and application thereof | 20181122 |
US-2019192668-A1 | Irak degraders and uses thereof | 20171226 |
US-10874743-B2 | IRAK degraders and uses thereof | 20171226 |
Complexity: | 527 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 359.2267886 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 359.2267886 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 56.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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