3-Aminoindazole-5-boronic Acid Pinacol Ester - CAS 953411-16-0
Catalog: |
BB041692 |
Product Name: |
3-Aminoindazole-5-boronic Acid Pinacol Ester |
CAS: |
953411-16-0 |
Synonyms: |
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-3-amine; 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-3-amine |
IUPAC Name: | 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazol-3-amine |
Description: | 3-Aminoindazole-5-boronic Acid Pinacol Ester (CAS# 953411-16-0) is a compound being used in the preparation of purine- or pyrazolo[3,4-d]pyrimidine-linked isochromene derivatives as phoshoinositide 3-kinase inhibitors. |
Molecular Weight: | 259.11 |
Molecular Formula: | C13H18N3O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NN=C3N |
InChI: | InChI=1S/C13H18BN3O2/c1-12(2)13(3,4)19-14(18-12)8-5-6-10-9(7-8)11(15)17-16-10/h5-7H,1-4H3,(H3,15,16,17) |
InChI Key: | IVUMUNXPWHOTHY-UHFFFAOYSA-N |
LogP: | 1.37440 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2019529453-A | Indazole compounds for use in tendon and / or ligament injury | 20160923 |
EP-3083617-B1 | Isochromene derivatives as phosphoinositide 3-kinases inhibitors | 20131218 |
US-2015166549-A1 | Isochromene derivatives as phoshoinositide 3-kinases inhibitors | 20131218 |
US-9321776-B2 | Isochromene derivatives as phoshoinositide 3-kinases inhibitors | 20131218 |
AU-2014223973-A1 | Amide compounds for the treatment of HIV | 20130301 |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.1492070 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.1492070 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 73.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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