≥98 atom% D for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Erlontinib-d6 hydrochloride potently inhibits EGFR autophosphorylation in cultured human head and neck tumor cells, a cell line which exhibits high levels of EGFR. Erlotinib-d6 HCl also inhibits the proliferation of PC-9 cell lines, which contain a deletion mutation on exon 19 of the EGFR gene. A combination of Erlotinib-d6 HCl and rapamycin produced a synergistic inhibitory effect on cell growth.
Erlotinib-d6, Hydrochloride Saltis a labeled form of Erlontinib HCl, a potent EGFR autophosphorylation inhibitior
| Canonical Smiles | COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl |
|---|---|
| IUPAC Name | N-(3-ethynylphenyl)-6,7-bis[2-(trideuteriomethoxy)ethoxy]quinazolin-4-amine;hydrochloride |
| InChIKey | GTTBEUCJPZQMDZ-HVTBMTIBSA-N |
| INCHI | 1S/C22H23N3O4.ClH/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H/i2D3,3D3; |
| Isomeric SMILES | [2H]C([2H])([2H])OCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC([2H])([2H])[2H].Cl |
| Alternate CAS | unlabelled: 183319-69-9; Free Base: 1034651-23-4 |
| Molecular Weight | 399.48 + 36.46 |
| Reaxy-Rn | 8813963 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8813963&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazanaphthalenes |
| Subclass | Benzodiazines |
| Intermediate Tree Nodes | Quinazolines |
| Direct Parent | Quinazolinamines |
| Alternative Parents | Phenol ethers Aniline and substituted anilines Aminopyrimidines and derivatives Alkyl aryl ethers Imidolactams Heteroaromatic compounds Secondary amines Dialkyl ethers Azacyclic compounds Acetylides Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Quinazolinamine - Phenol ether - Aniline or substituted anilines - Aminopyrimidine - Alkyl aryl ether - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Acetylide - Azacycle - Dialkyl ether - Ether - Secondary amine - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - Hydrochloride - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups. |
| External Descriptors | Not available |
| Solubility | Soluble in water (partly miscible), DMF, DMSO, ethanol, and methanol.DMSO (Slightly, Heated), Methanol (Slightly, Heated) |
|---|---|
| Molecular Weight | 435.900 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 11 |
| Exact Mass | 435.183 Da |
| Monoisotopic Mass | 435.183 Da |
| Topological Polar Surface Area | 74.700 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 525.000 |
| Isotope Atom Count | 6 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
I2524063