CAS 1210610-07-3 Erlotinib-[13C6] Hydrochloride

General Information
Catalog: BLP-011570
CAS: 1210610-07-3
Molecular Formula: C16[13C]6H23N3O4.HCl
Molecular Weight: 435.82

General Information

Catalog: BLP-011570

CAS: 1210610-07-3

Molecular Formula: C16[13C]6H23N3O4.HCl

Molecular Weight: 435.82

Chemical Structure

Description	Erlotinib-[13C6] Hydrochloride is the labelled salt of Erlotinib. Erlotinib is a tyrosine kinase inhibitor which acts on the epidermal growth factor receptor (EGFR), inhibiting EGFR-associated kinase activity. Erlotinib is a medication used to treat non-small cell lung cancer and pancreatic cancer.
Synonyms	Erlotinib-13C6 Hydrochloride; N-[3-ethynyl(1,2,3,4,5,6-13C6)phenyl]-6,7-bis(2-methoxyethoxy)quinazolin-4-amine hydrochloride; Tarceva-13C6
IUPAC Name	N-(5-ethynyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;hydrochloride
Related CAS	183319-69-9 (unlabelled) 183321-74-6 (unlabelled free base)
Isomeric SMILES	COCCOC1=C(C=C2C(=C1)C(=NC=N2)N[13C]3=[13CH][13CH]=[13CH][13C](=[13CH]3)C#C)OCCOC.Cl
Canonical SMILES	COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl
InChI	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/i5+1,6+1,7+1,12+1,16+1,17+1;
InChI Key	GTTBEUCJPZQMDZ-WQQMTWEQSA-N
Purity	95% by HPLC; 98% atom 13C
Solubility	Soluble in Acetone, DMF (Slightly, Heated), DMSO (Slightly, Heated)
Appearance	White to Light Yellow Solid
Storage	Store at -20°C

Erlotinib-[13C6] Hydrochloride, a derivative of Erlotinib, a potent tyrosine kinase inhibitor utilized extensively in cancer research and therapy. Below are the key applications of Erlotinib-[13C6] Hydrochloride:

Pharmacokinetic Studies: Employing Erlotinib-[13C6] Hydrochloride in pharmacokinetic investigations allows for a comprehensive analysis of the drug's absorption, distribution, metabolism, and excretion (ADME) within the body. By leveraging this labeled compound, researchers can meticulously track Erlotinib's journey through various tissues and fluids using cutting-edge mass spectrometry techniques. This meticulous approach enables precise quantification of drug levels, facilitating optimized dosing strategies and minimizing potential side effects, thereby enhancing treatment efficacy.

Cancer Biology Research: In the realm of cancer biology, Erlotinib-[13C6] Hydrochloride plays a pivotal role in unraveling the intricate mechanisms underlying drug resistance. By delving into the interactions between this labeled inhibitor and cancer cells, scientists can pinpoint alterations in signaling pathways and genetic mutations that underlie resistance development. This critical insight serves as a cornerstone for devising novel therapeutic approaches aimed at circumventing resistance mechanisms and ultimately improving patient prognoses significantly.

Drug-Drug Interaction Studies: The utility of this labeled compound extends to exploring potential interactions between Erlotinib and concomitant medications. By shedding light on how Erlotinib-[13C6] Hydrochloride interacts with other drugs, researchers can anticipate and mitigate adverse drug interactions, enabling the customization of treatment schedules for enhanced patient safety. This facet proves indispensable in safeguarding patient well-being and maximizing the efficacy of cancer treatment regimens, thereby advancing the frontiers of personalized cancer care.