5-(Methoxymethyl)-3-isoxazolecarboxylic Acid - CAS 95312-32-6
Catalog: |
BB063718 |
Product Name: |
5-(Methoxymethyl)-3-isoxazolecarboxylic Acid |
CAS: |
95312-32-6 |
Synonyms: |
5-(methoxymethyl)-1,2-oxazole-3-carboxylic acid; 5-(Methoxymethyl)isoxazole-3-carboxylic acid; 5-(Methoxymethyl)-3-isoxazolecarboxylic acid |
IUPAC Name: | 5-(methoxymethyl)-1,2-oxazole-3-carboxylic acid |
Description: | 5-(Methoxymethyl)-3-isoxazolecarboxylic Acid is used in the design and synthesis of selective peptide epoxyketone proteasome inhibitors used as an antitumor agent in cancer treatment. |
Molecular Weight: | 157.12 |
Molecular Formula: | C6H7NO4 |
Canonical SMILES: | COCC1=CC(=NO1)C(=O)O |
InChI: | InChI=1S/C6H7NO4/c1-10-3-4-2-5(6(8)9)7-11-4/h2H,3H2,1H3,(H,8,9) |
InChI Key: | ITLABBGKNGIQTG-UHFFFAOYSA-N |
References: | Zhou, H. et al. J. Med. Chem., 52, 3028 (2009); Lepage, F. et al. Eur. J. Med. Chem., 27, 581 (1992). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.0375077 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.0375077 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0 |
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