Ethyl 3-Aminoisonicotinate - CAS 14208-83-4
Catalog: |
BB009294 |
Product Name: |
Ethyl 3-Aminoisonicotinate |
CAS: |
14208-83-4 |
Synonyms: |
3-amino-4-pyridinecarboxylic acid ethyl ester; ethyl 3-aminopyridine-4-carboxylate |
IUPAC Name: | ethyl 3-aminopyridine-4-carboxylate |
Description: | 3-Amino-isonicotinic Acid Ethyl Ester acts as a reagent for the synthetic preparation of heteroaryl compounds as PDE-10 inhibitors useful in treatment and prevention of CNS, metabolic and other diseases. Also in the design and evaluation of 1,7-naphthyridones as novel KDM5 inhibitors. |
Molecular Weight: | 166.18 |
Molecular Formula: | C8H10N2O2 |
Canonical SMILES: | CCOC(=O)C1=C(C=NC=C1)N |
InChI: | InChI=1S/C8H10N2O2/c1-2-12-8(11)6-3-4-10-5-7(6)9/h3-5H,2,9H2,1H3 |
InChI Key: | BIFLTHWDFNLOTD-UHFFFAOYSA-N |
Boiling Point: | 304 °C at 760 mmHg |
Density: | 1.192 g/cm3 |
Appearance: | Yellow to light brown powder or crystals |
MDL: | MFCD03788270 |
LogP: | 1.42170 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021011724-A1 | Tricyclic heteroaryl compounds useful as irak4 inhibitors | 20190718 |
WO-2019202346-A2 | Pharmaceutically effective compounds inhibiting selectively the myosin 2 isoforms | 20180418 |
AU-2019256801-A1 | Pharmaceutically effective compounds inhibiting selectively the myosin 2 isoforms | 20180418 |
BR-112020021347-A2 | PHARMACEUTICALLY EFFECTIVE COMPOUNDS THAT SELECTIVELY INHIBIT MYOSIN ISOFORMS 2 | 20180418 |
EP-3781263-A2 | Pharmaceutically effective compounds inhibiting selectively the myosin 2 isoforms | 20180418 |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 65.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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