6-Amino-4-[(3-chloro-4-(2-pyridylmethoxy)phenyl)amino]-7-ethoxyquinoline-3-carbonitrile - CAS 848139-78-6
Catalog: |
BB037320 |
Product Name: |
6-Amino-4-[(3-chloro-4-(2-pyridylmethoxy)phenyl)amino]-7-ethoxyquinoline-3-carbonitrile |
CAS: |
848139-78-6 |
Synonyms: |
6-amino-4-[3-chloro-4-(2-pyridinylmethoxy)anilino]-7-ethoxy-3-quinolinecarbonitrile; 6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile |
IUPAC Name: | 6-amino-4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-ethoxyquinoline-3-carbonitrile |
Description: | 6-Amino-4-[(3-chloro-4-(2-pyridylmethoxy)phenyl)amino]-7-ethoxyquinoline-3-carbonitrile (CAS# 848139-78-6) is used in the synthetic preparation of aminopropanamides which is used in irreversible inhibition of epidermal growth factor receptor (EGFR) for potential use in cancer therapy. |
Molecular Weight: | 445.90 |
Molecular Formula: | C24H20ClN5O2 |
Canonical SMILES: | CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)N |
InChI: | InChI=1S/C24H20ClN5O2/c1-2-31-23-11-21-18(10-20(23)27)24(15(12-26)13-29-21)30-16-6-7-22(19(25)9-16)32-14-17-5-3-4-8-28-17/h3-11,13H,2,14,27H2,1H3,(H,29,30) |
InChI Key: | WRGKROVGVSWJMI-UHFFFAOYSA-N |
MDL: | MFCD12032114 |
LogP: | 5.46148 |
GHS Hazard Statement: | H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity] |
Precautionary Statement: | P201, P202, P281, P308+P313, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112679473-A | Lenalitinib intermediate crystal, preparation method and application thereof | 20191018 |
WO-2019076316-A1 | PROCESS FOR PREPARING TYROSINE KINASE INHIBITOR AND INTERMEDIATE THEREOF | 20171018 |
EP-3699177-A1 | Preparation method for tyrosine kinase inhibitor and intermediate thereof | 20171018 |
US-2020239443-A1 | Preparation Method for Tyrosine Kinase Inhibitor and Intermediate Thereof | 20171018 |
US-2019346454-A1 | Reagents and Methods for Analysis of Proteins and Metabolites Targeted by Covalent Probes | 20161128 |
Complexity: | 645 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 445.1305526 |
Formal Charge: | 0 |
Heavy Atom Count: | 32 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 445.1305526 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 106 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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