1-Cyclopropylpyrazole-4-boronic Acid Pinacol Ester - CAS 1151802-22-0
Catalog: |
BB003500 |
Product Name: |
1-Cyclopropylpyrazole-4-boronic Acid Pinacol Ester |
CAS: |
1151802-22-0 |
Synonyms: |
1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole; 1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
IUPAC Name: | 1-cyclopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole |
Description: | 1-Cyclopropylpyrazole-4-boronic Acid Pinacol Ester (CAS# 1151802-22-0) is a triazolopyridazine compound with the potential to be used in the treatment of cancer, acting as an c-Met kinase inhibitor. |
Molecular Weight: | 234.10 |
Molecular Formula: | C12H19N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CN(N=C2)C3CC3 |
InChI: | InChI=1S/C12H19BN2O2/c1-11(2)12(3,4)17-13(16-11)9-7-14-15(8-9)10-5-6-10/h7-8,10H,5-6H2,1-4H3 |
InChI Key: | NLWYVKHISUTBMY-UHFFFAOYSA-N |
Flash Point: | Not applicable |
Appearance: | Solid |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD16659007 |
LogP: | 1.51720 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112010860-A | Benzyloxypyrazolopyrimidine compounds, pharmaceutical compositions and uses thereof | 20200805 |
US-2021171535-A1 | Tricyclic heterocycles as fgfr inhibitors | 20191204 |
WO-2021113479-A1 | Tricyclic heterocycles as fgfr inhibitors | 20191204 |
WO-2021084500-A1 | Fluorinated quinoline and quinoxaline derivatives as dihydroorotate dehydrogenase (dhodh) inhibitors for the treatment of cancer, autoimmune and inflammatory diseases | 20191101 |
US-2021106588-A1 | Bicyclic heterocycles as fgfr inhibitors | 20191014 |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.1539580 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.1539580 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 36.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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