3-Ethylisoxazole-4-carboxylic Acid - CAS 639523-12-9
Catalog: |
BB032333 |
Product Name: |
3-Ethylisoxazole-4-carboxylic Acid |
CAS: |
639523-12-9 |
Synonyms: |
3-ethyl-4-isoxazolecarboxylic acid; 3-ethyl-1,2-oxazole-4-carboxylic acid |
IUPAC Name: | 3-ethyl-1,2-oxazole-4-carboxylic acid |
Description: | 3-Ethylisoxazole-4-carboxylic Acid (CAS# 639523-12-9) is a useful reagent in the preparation of substituted spirocyclic 2-oxoindoline derivatives which are potent modulators of human IL-17 activity; beneficial in the treatment/prevention of various human ailments, including inflammatory and autoimmune disorders. |
Molecular Weight: | 141.12 |
Molecular Formula: | C6H7NO3 |
Canonical SMILES: | CCC1=NOC=C1C(=O)O |
InChI: | InChI=1S/C6H7NO3/c1-2-5-4(6(8)9)3-10-7-5/h3H,2H2,1H3,(H,8,9) |
InChI Key: | GWXJFENAVVNMTA-UHFFFAOYSA-N |
LogP: | 0.93520 |
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 |
WO-2020146194-A1 | Imidazo[1,2-b]pyridazine il-17a inhibitors | 20190107 |
TW-202039505-A | Il-17a inhibitors | 20190107 |
KR-20210100143-A | Imidazo[1,2-B]pyridazine IL-17A inhibitor | 20190107 |
WO-2020120141-A1 | Functionalised amine derivatives as il-17 modulators | 20181211 |
CN-113260418-A | Functionalized amine derivatives as IL-17 modulators | 20181211 |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.042593085 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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