Home Aminos Ethanol, 2-[[4-[(3-ethynylphenyl)amino]-7-(2-methoxyethoxy)-6-quinazolinyl]oxy]-, hydrochloride (1:1)

Ethanol, 2-[[4-[(3-ethynylphenyl)amino]-7-(2-methoxyethoxy)-6-quinazolinyl]oxy]-, hydrochloride (1:1)

CAS No.:
183320-51-6
Catalog Number:
AG0027I1
Molecular Formula:
C21H22ClN3O4
Molecular Weight:
415.8701
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$257
- +
10mg
98%
1 week
United States
$407
- +
50mg
98%
1 week
United States
$948
- +
Product Description
Catalog Number:
AG0027I1
Chemical Name:
Ethanol, 2-[[4-[(3-ethynylphenyl)amino]-7-(2-methoxyethoxy)-6-quinazolinyl]oxy]-, hydrochloride (1:1)
CAS Number:
183320-51-6
Molecular Formula:
C21H22ClN3O4
Molecular Weight:
415.8701
MDL Number:
MFCD22420811
IUPAC Name:
2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethanol;hydrochloride
InChI:
InChI=1S/C21H21N3O4.ClH/c1-3-15-5-4-6-16(11-15)24-21-17-12-19(27-8-7-25)20(28-10-9-26-2)13-18(17)22-14-23-21;/h1,4-6,11-14,25H,7-10H2,2H3,(H,22,23,24);1H
InChI Key:
BUOXOWNQZVIETJ-UHFFFAOYSA-N
SMILES:
OCCOc1cc2c(ncnc2cc1OCCOC)Nc1cccc(c1)C#C.Cl
Properties
Complexity:
511  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.13g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
415.874g/mol
Monoisotopic Mass:
415.13g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
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Role of ATP-binding cassette and solute carrier transporters in erlotinib CNS penetration and intracellular accumulation. Clinical cancer research : an official journal of the American Association for Cancer Research 20110101
Cerebrospinal fluid concentration of erlotinib and its active metabolite OSI-420 in patients with central nervous system metastases of non-small cell lung cancer. Journal of thoracic oncology : official publication of the International Association for the Study of Lung Cancer 20100701
Pharmacokinetics of erlotinib and its active metabolite OSI-420 in patients with non-small cell lung cancer and chronic renal failure who are undergoing hemodialysis. Journal of thoracic oncology : official publication of the International Association for the Study of Lung Cancer 20100501
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Inhibition by erlotinib of primary lung adenocarcinoma at an early stage in male mice. Cancer chemotherapy and pharmacology 20080901
The plasma and cerebrospinal fluid pharmacokinetics of erlotinib and its active metabolite (OSI-420) after intravenous administration of erlotinib in non-human primates. Cancer chemotherapy and pharmacology 20080801
Modulation of erlotinib pharmacokinetics in mice by a novel cytochrome P450 3A4 inhibitor, BAS 100. British journal of cancer 20080520
Effect of food on the pharmacokinetics of erlotinib, an orally active epidermal growth factor receptor tyrosine-kinase inhibitor, in healthy individuals. Anti-cancer drugs 20080201
The quantification of erlotinib (OSI-774) and OSI-420 in human plasma by liquid chromatography-tandem mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20070401
Plasma and cerebrospinal fluid pharmacokinetics of erlotinib and its active metabolite OSI-420. Clinical cancer research : an official journal of the American Association for Cancer Research 20070301
Effects of smoking on the pharmacokinetics of erlotinib. Clinical cancer research : an official journal of the American Association for Cancer Research 20060401
Evaluation of the absolute oral bioavailability and bioequivalence of erlotinib, an inhibitor of the epidermal growth factor receptor tyrosine kinase, in a randomized, crossover study in healthy subjects. Journal of clinical pharmacology 20060301
Simultaneous determination of OSI-774 and its major metabolite OSI-420 in human plasma by using HPLC with UV detection. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20050105
Specific method for determination of OSI-774 and its metabolite OSI-420 in human plasma by using liquid chromatography-tandem mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20030815
Properties