3-Aminoisoxazole - CAS 1750-42-1
Catalog: |
BB013070 |
Product Name: |
3-Aminoisoxazole |
CAS: |
1750-42-1 |
Synonyms: |
1,2-oxazol-3-amine |
IUPAC Name: | 1,2-oxazol-3-amine |
Description: | 3-Aminoisoxazole (CAS# 1750-42-1) is a general chemical reagent used in pharmaceutical syntheses. Used in the synthesis of BRD4 (bromodomain) inhibitors as anti-cancer drugs. |
Molecular Weight: | 84.08 |
Molecular Formula: | C3H4N2O |
Canonical SMILES: | C1=CON=C1N |
InChI: | InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5) |
InChI Key: | RHFWLPWDOYJEAL-UHFFFAOYSA-N |
Boiling Point: | 234.7 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.241 g/cm3 |
MDL: | MFCD00038814 |
LogP: | 0.83800 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3645531-A1 | Thiazole compounds useful as prmt5 inhibitors | 20170629 |
US-2020123147-A1 | Thiazole compounds useful as prmt5 inhibitors | 20170629 |
WO-2019002074-A1 | THIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF PRMT5 | 20170629 |
AU-2018238079-A1 | Novel pyridone carboxylic acid derivative or salt thereof | 20170324 |
EP-3604305-A1 | Novel pyridone carboxylic acid derivative or salt thereof | 20170324 |
PMID | Publication Date | Title | Journal |
24900758 | 20130912 | Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors | ACS medicinal chemistry letters |
22259365 | 20120101 | Diaqua-bis-(5-methyl-1,2-oxazole-3-car-box-yl-ato-κN,O)cobalt(II) dihydrate | Acta crystallographica. Section E, Structure reports online |
21851057 | 20111013 | 3,5-dimethylisoxazoles act as acetyl-lysine-mimetic bromodomain ligands | Journal of medicinal chemistry |
21545106 | 20110602 | Quantifying water-mediated protein-ligand interactions in a glutamate receptor: a DFT study | The journal of physical chemistry. B |
15863307 | 20050516 | A synthetic route to a novel type of conformationally constrained N-aryloxazolidinones | Bioorganic & medicinal chemistry letters |
Complexity: | 48.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 84.032362755 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 84.032362755 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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