Ethyl 4,6-dichloronicotinate - CAS 40296-46-6
Catalog: |
BB024436 |
Product Name: |
Ethyl 4,6-dichloronicotinate |
CAS: |
40296-46-6 |
Synonyms: |
4,6-dichloro-3-pyridinecarboxylic acid ethyl ester; ethyl 4,6-dichloropyridine-3-carboxylate |
IUPAC Name: | ethyl 4,6-dichloropyridine-3-carboxylate |
Description: | Ethyl 4,6-Dichloronicotinate acts as a reactant in the preparation of (acylamino)aminonaphthyridinones as novobiocin analogs and Hsp90 inhibitors, their antitumor activities in human breast cancer cell lines, and the effects on aptoptosis and cell cycle advancement of selected compounds. |
Molecular Weight: | 220.05 |
Molecular Formula: | C8H7Cl2NO2 |
Canonical SMILES: | CCOC(=O)C1=CN=C(C=C1Cl)Cl |
InChI: | InChI=1S/C8H7Cl2NO2/c1-2-13-8(12)5-4-11-7(10)3-6(5)9/h3-4H,2H2,1H3 |
InChI Key: | AAUBVINEXCCXOK-UHFFFAOYSA-N |
Boiling Point: | 276.3 °C at 760 mmHg |
Density: | 1.367 g/cm3 |
MDL: | MFCD00234408 |
LogP: | 2.56510 |
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 |
US-2021315869-A1 | Compounds and methods for csk modulation and indications therefor | 20200402 |
WO-2021202900-A1 | 1,6-naphthyridine compounds and methods for csk modulation and indications therefor | 20200402 |
WO-2021170076-A1 | Compounds as cdk2/4/6 inhibitors | 20200228 |
WO-2021151062-A1 | Heterocyclic compounds and uses thereof | 20200124 |
WO-2021084266-A1 | Bicyclic nitrogen containing heterocycles as inhibitors of salt-inuced kinase sik2 | 20191031 |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.9853839 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.9853839 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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