2-Aminobenzoxazole-5-boronic Acid Pinacol Ester - CAS 1224844-66-9
Catalog: |
BB005406 |
Product Name: |
2-Aminobenzoxazole-5-boronic Acid Pinacol Ester |
CAS: |
1224844-66-9 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-amine; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-amine |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazol-2-amine |
Description: | 2-Aminobenzoxazole-5-boronic Acid Pinacol Ester (CAS# 1224844-66-9) is a useful intermediate for the development of small-molecular inhibitors (mTOR inhibitors) that targets cancer. |
Molecular Weight: | 260.10 |
Molecular Formula: | C13H17N2O3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC(=N3)N |
InChI: | InChI=1S/C13H17BN2O3/c1-12(2)13(3,4)19-14(18-12)8-5-6-10-9(7-8)16-11(15)17-10/h5-7H,1-4H3,(H2,15,16) |
InChI Key: | QAFVXRPBLZCHKP-UHFFFAOYSA-N |
Storage: | Keep in dark place, Inert atmosphere, 2-8 °C |
LogP: | 1.63930 |
Publication Number | Title | Priority Date |
CN-113200969-A | PI3K alpha selective inhibitor and preparation method and application thereof | 20210519 |
CN-111848629-A | mTOR/HDAC dual inhibitor and application thereof | 20200715 |
CN-111848629-B | mTOR/HDAC dual inhibitor and application thereof | 20200715 |
US-2019336609-A1 | C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors | 20180501 |
WO-2019212990-A1 | C40-, c28-, and c-32-linked rapamycin analogs as mtor inhibitors | 20180501 |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.1332226 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.1332226 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 70.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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