Home Sulfos N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine

N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine

CAS No.:
231277-92-2
Catalog Number:
AG0039KT
Molecular Formula:
C29H26ClFN4O4S
Molecular Weight:
581.0575
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
95%
In Stock USA
United States
$51
- +
100mg
95%
In Stock USA
United States
$63
- +
1g
95%
In Stock USA
United States
$157
- +
5g
95%
In Stock USA
United States
$438
- +
Product Description
Catalog Number:
AG0039KT
Chemical Name:
N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine
CAS Number:
231277-92-2
Molecular Formula:
C29H26ClFN4O4S
Molecular Weight:
581.0575
MDL Number:
MFCD09264194
IUPAC Name:
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine
InChI:
InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)
InChI Key:
BCFGMOOMADDAQU-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)COc1ccc(cc1Cl)Nc1ncnc2c1cc(cc2)c1ccc(o1)CNCCS(=O)(=O)C
UNII:
0VUA21238F
NSC Number:
745750
Properties
Complexity:
898  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
580.135g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
581.059g/mol
Monoisotopic Mass:
580.135g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  
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Southwest Oncology Group study S0413: a phase II trial of lapatinib (GW572016) as first-line therapy in patients with advanced or metastatic gastric cancer. Annals of oncology : official journal of the European Society for Medical Oncology 20111201
Pharmacokinetic evaluation of the vinorelbine-lapatinib combination in the treatment of breast cancer patients. Cancer chemotherapy and pharmacology 20111201
Randomized phase II study of lapatinib plus capecitabine or lapatinib plus topotecan for patients with HER2-positive breast cancer brain metastases. Journal of neuro-oncology 20111201
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An overview of letrozole in postmenopausal women with hormone-responsive breast cancer. Advances in therapy 20111201
Mechanistic insights into the activation of oncogenic forms of EGF receptor. Nature structural & molecular biology 20111201
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Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps). PLoS computational biology 20111201
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An EGFR inhibitor enhances the efficacy of SN38, an active metabolite of irinotecan, in SN38-refractory gastric carcinoma cells. British journal of cancer 20111108
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BikDD eliminates breast cancer initiating cells and synergizes with lapatinib for breast cancer treatment. Cancer cell 20110913
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The PI3 kinase/mTOR blocker NVP-BEZ235 overrides resistance against irreversible ErbB inhibitors in breast cancer cells. Breast cancer research and treatment 20110901
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Efficacy control of therapy using circulating epithelial tumor cells (CETC) as 'liquid biopsy': trastuzumab in HER2/neu-positive breast carcinoma. Journal of cancer research and clinical oncology 20110901
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Fertility preservation in women--a practical guide to preservation techniques and therapeutic strategies in breast cancer, Hodgkin's lymphoma and borderline ovarian tumours by the fertility preservation network FertiPROTEKT. Archives of gynecology and obstetrics 20110801
FOXO and FOXM1 in cancer: the FOXO-FOXM1 axis shapes the outcome of cancer chemotherapy. Current drug targets 20110801
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Enhancing adherence to capecitabine chemotherapy by means of multidisciplinary pharmaceutical care. Supportive care in cancer : official journal of the Multinational Association of Supportive Care in Cancer 20110701
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Phase II trial of lapatinib and topotecan (LapTop) in patients with platinum-refractory/resistant ovarian and primary peritoneal carcinoma. Gynecologic oncology 20110701
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Prophylaxis and treatment of dermatologic adverse events from epidermal growth factor receptor inhibitors. Current opinion in oncology 20110701
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Hybridization for human epidermal growth factor receptor 2 testing in gastric carcinoma: a comparison of fluorescence in-situ hybridization with a novel fully automated dual-colour silver in-situ hybridization method. Histopathology 20110701
Novel EGFR inhibitors prepared by combination of dithiocarbamic acid esters and 4-anilinoquinazolines. Bioorganic & medicinal chemistry letters 20110615
Small tyrosine kinase inhibitors interrupt EGFR signaling by interacting with erbB3 and erbB4 in glioblastoma cell lines. Experimental cell research 20110610
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A Q-TWiST analysis comparing panitumumab plus best supportive care (BSC) with BSC alone in patients with wild-type KRAS metastatic colorectal cancer. British journal of cancer 20110607
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Metabolic intermediate complex formation of human cytochrome P450 3A4 by lapatinib. Drug metabolism and disposition: the biological fate of chemicals 20110601
Complete response in HER2+ leptomeningeal carcinomatosis from breast cancer with intrathecal trastuzumab. Breast cancer research and treatment 20110601
Discovery, synthesis, and investigation of the antitumor activity of novel piperazinylpyrimidine derivatives. European journal of medicinal chemistry 20110601
Crude phenolic extracts from extra virgin olive oil circumvent de novo breast cancer resistance to HER1/HER2-targeting drugs by inducing GADD45-sensed cellular stress, G2/M arrest and hyperacetylation of Histone H3. International journal of oncology 20110601
ErbB3 ablation impairs PI3K/Akt-dependent mammary tumorigenesis. Cancer research 20110601
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A multiscale modeling approach to investigate molecular mechanisms of pseudokinase activation and drug resistance in the HER3/ErbB3 receptor tyrosine kinase signaling network. Molecular bioSystems 20110601
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Clinical pharmacokinetics of tyrosine kinase inhibitors: focus on 4-anilinoquinazolines. Clinical pharmacokinetics 20110601
Cancer stem cells: perspectives of new therapeutical approaches for breast cancer. Frontiers in bioscience (Scholar edition) 20110601
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Activity of oxaliplatin plus capecitabine (CapeOx) with lapatinib for metastatic colorectal cancer: results from two patients treated on a clinical study. Clinical advances in hematology & oncology : H&O 20110601
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Phase II Study of Vinorelbine Plus Trastuzumab in HER2 Overexpressing Metastatic Breast Cancer Pretreated with Anthracyclines and Taxanes. Journal of breast cancer 20110601
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Immunohistochemical and molecular analyses of HER2 status in breast cancers are highly concordant and complementary approaches. British journal of cancer 20110524
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The dual EGFR/HER2 inhibitor lapatinib synergistically enhances the antitumor activity of the histone deacetylase inhibitor panobinostat in colorectal cancer models. Cancer research 20110515
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Targeting GLI1 expression in human inflammatory breast cancer cells enhances apoptosis and attenuates migration. British journal of cancer 20110510
Resistance to HER2-directed antibodies and tyrosine kinase inhibitors: mechanisms and clinical implications. Cancer biology & therapy 20110501
Lapatinib plus trastuzumab for a patient with heavily pre-treated gastric cancer that progressed after trastuzumab. Japanese journal of clinical oncology 20110501
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p53 status influences response to tamoxifen but not to fulvestrant in breast cancer cell lines. International journal of cancer 20110415
The therapeutic potential of targeting the EGFR family in epithelial ovarian cancer. British journal of cancer 20110412
Inhibitor of Apoptosis (IAP) survivin is indispensable for survival of HER2 gene-amplified breast cancer cells with primary resistance to HER1/2-targeted therapies. Biochemical and biophysical research communications 20110408
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Targeting the human EGFR family in esophagogastric cancer. Nature reviews. Clinical oncology 20110405
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Polyclonal immune responses to antigens associated with cancer signaling pathways and new strategies to enhance cancer vaccines. Immunologic research 20110401
Predicting and preventing cardiotoxicity in the era of breast cancer targeted therapies. Novel molecular tools for clinical issues. Breast (Edinburgh, Scotland) 20110401
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A Bayesian hierarchical model for DCE-MRI to evaluate treatment response in a phase II study in advanced squamous cell carcinoma of the head and neck. Magma (New York, N.Y.) 20110401
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Time-resolved fluorescence resonance energy transfer (TR-FRET) to analyze the disruption of EGFR/HER2 dimers: a new method to evaluate the efficiency of targeted therapy using monoclonal antibodies. The Journal of biological chemistry 20110401
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Activation of the neuregulin/ErbB system during physiological ventricular remodeling in pregnancy. American journal of physiology. Heart and circulatory physiology 20110301
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Stat1 is a suppressor of ErbB2/Neu-mediated cellular transformation and mouse mammary gland tumor formation. Cell cycle (Georgetown, Tex.) 20110301
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A phase I study of capecitabine, oxaliplatin, and lapatinib in metastatic or advanced solid tumors. Clinical colorectal cancer 20110301
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A case of metastatic breast cancer successfully treated with lapatinib plus capecitabine therapy. Archives of gynecology and obstetrics 20110201
Integrating bevacizumab, everolimus, and lapatinib into current neoadjuvant chemotherapy regimen for primary breast cancer. Safety results of the GeparQuinto trial. Annals of oncology : official journal of the European Society for Medical Oncology 20110201
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Single agent and combination studies of pralatrexate and molecular correlates of sensitivity. British journal of cancer 20110118
AKT inhibition relieves feedback suppression of receptor tyrosine kinase expression and activity. Cancer cell 20110118
Anticancer activity of Celastrol in combination with ErbB2-targeted therapeutics for treatment of ErbB2-overexpressing breast cancers. Cancer biology & therapy 20110115
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Refractory lung metastasis from breast cancer treated with multidisciplinary therapy including an immunological approach. Breast cancer (Tokyo, Japan) 20110101
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Epidermal Growth Factor Receptor (EGFR) mutation analysis, gene expression profiling and EGFR protein expression in primary prostate cancer. BMC cancer 20110101
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