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Erlotinib

CAT: 0013-GTR19177133-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19177133-03Size:100 mg
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Description
Erlotinib (CP-358774) is a first-generation, ATP-competitive inhibitor targeting EGFR mutants like exon 19 deletions and L858R. It is widely used in preclinical in vitro and in vivo studies of non-small cell lung cancer, though its application can lead to the acquisition of the C797S resistance mutation.
CAS Number
183321-74-6
Product Name Alternative
R1415, R-1415, R 1415, tumor, cell, CP358774, CP-358774, CP 358774, directly, autophosphorylation, Autophagy, cancer, acting, EGFR, Epidermal growth factor receptor, ErbB-1, Erlotinib, Inhibitor, HER1, intact, inhibit, non-small, NSC718781, NSC-718781, OSI744, OSI-744, OSI774, OSI-774, OSI 744, OSI 774, NSC 718781, lung
Field of Research
Cardiovascular Research, Cell Biology, Pharmacology & Drug Discovery, Signal Transduction
Purity
98.19% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:7.2 mg/mL (18.3 mM) ; DMSO:255 mg/mL (648.13 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble) ; Ethanol:12 mg/mL (30.5 mM)
Smiles
N (C=1C2=C (C=C (OCCOC) C (OCCOC) =C2) N=CN1) C3=CC (C#C) =CC=C3
Molecular Formula
C22H23N3O4
Molecular Weight
393.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Erlotinib

Erlotinib is a quinazoline compound having a (3-ethynylphenyl)amino group at the 4-position and two 2-methoxyethoxy groups at the 6- and 7-positions. It has a role as an antineoplastic agent, a protein kinase inhibitor and an epidermal growth factor receptor antagonist. It is an aromatic ether, a member of quinazolines, a secondary amino compound and a terminal acetylenic compound.

CAS Number183321-74-6
PubChem CID176870
IUPAC NameN-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
Molecular FormulaC22H23N3O4
Molecular Weight393.4
XLogP3.3
Topological Polar Surface Area74.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count29
Formal Charge0
Complexity525
SMILES
COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC
InChI
InChI=1S/C22H23N3O4/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)
InChIKey
AAKJLRGGTJKAMG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Erlotinib
CAS: 183321-74-6
CID: 176870
Formula: C22H23N3O4
MW: 393.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass393.16885622
Monoisotopic Mass393.16885622
Topological Polar Surface Area74.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity525
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A3397-5000Erlotinib
A8234-5000Erlotinib Hydrochloride
CS-EO-02363Erlotinib D4
BE164419-01Erlotinib base
467343-01Tetrahydro Erlotinib
HY-50896S2Erlotinib-d4

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