Cas no 388082-78-8 (Lapatinib ditosylate monohydrate)
Lapatinib ditosylate monohydrate Chemical and Physical Properties
Names and Identifiers
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- Lapatinib Ditosylate
- benzenesulfonic acid: N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6 -[5-[(2-methylsulfonylethylamino)methyl]-2-furyl]quinazolin-4-amine h ydrate
- N-(3-Chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-4-quinazolinamine bis(4-methylbenzenesulfonate)
- Tykerb N-{3-Chloro-4-[(3-fluorophenyl)-methoxy]-phenyl}-6-{5-{(2-methylsulfonylethy amino)-methyl]-2-furyl}-quinazolin-4-amine-benzenesulfonic acid
- Lapatinib ditosylate hydrate
- bis(N-(3-chloro-4-(3-fluorobenzyloxy)phenyl)-6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-...
- Lapatinib
-  
- Lapatinib Ditosilate
- Lapatinib ditosylate Monohydrate
- 4-Quinazolinamine,N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-,bis(4-methylbenzenesulfonate), monohydrate (9CI)
- N-(3-Chloro-4-((3-fluorophenyl)methoxy)phenyl)-6-(5-(((2-(methylsulfonyl)ethyl)amino)methyl)-2-furanyl)-4-quinazolinamine bis(4-methylbenzenesulfonate) monohydrate
- Tykerb
- GW572016
- GW 572016
- Lapatinib base
- Lapatinib [INN]
- Tyverb
- Lapatinib (INN)
- Lapatinib free base
- GSK 572016
- GSK572016
- FMM
- N-{3-CHLORO-4-[(3-FLUOROBENZYL)OXY]PHENYL}-6-[5-({[2-(METHYLSULFONYL)ETHYL]AMINO}METHYL)-2-FURYL]-4-QUINAZOLINAMINE
- 0VUA21238F
- NSC745750
- N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine
- C29H26ClF
- Lapatinib ditosylate monohydrate
-
- MDL： MFCD18904381
- Inchi： 1S/C29H26ClFN4O4S.2C7H8O3S.H2O/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;2*1-6-2-4-7(5-3-6)11(8,9)10;/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);2*2-5H,1H3,(H,8,9,10);1H2
- InChI Key： XNRVGTHNYCNCFF-UHFFFAOYSA-N
- SMILES： ClC1=C(C=CC(=C1)NC1=C2C(C=CC(=C2)C2=CC=C(CNCCS(C)(=O)=O)O2)=NC=N1)OCC1C=CC=C(C=1)F.S(C1C=CC(C)=CC=1)(=O)(=O)O.S(C1C=CC(C)=CC=1)(=O)(=O)O.O
Computed Properties
- Exact Mass: 942.18400
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 40
- Rotatable Bond Count: 11
- Complexity: 898
- Topological Polar Surface Area: 115
Experimental Properties
- Melting Point: >276°C
- PSA: 249.46000
- LogP: 12.26450
Lapatinib ditosylate monohydrate Security Information
- Signal Word：Warning
- Hazard Statement： H302-H315-H319-H335
- Warning Statement： P261; P264; P271; P280; P302+P352; P304+P340; P305+P351+P338; P312; P321; P332+P313; P337+P313; P362; P403+P233; P405; P501
- Safety Instruction： S24; S37; S61
-
Hazardous Material Identification：
- Storage Condition：Store at room temperature
- Risk Phrases：R43; R51/53
Lapatinib ditosylate monohydrate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | L193141-5g |
Lapatinib ditosylate monohydrate |
388082-78-8 | 98% | 5g |
￥555.90 | 2023-09-02 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | L193141-1g |
Lapatinib ditosylate monohydrate |
388082-78-8 | 98% | 1g |
￥175.90 | 2023-09-02 | |
| S e l l e c k ZHONG GUO | S5241-25mg |
Lapatinib ditosylate monohydrate |
388082-78-8 | 99.85% | 25mg |
￥794.55 | 2023-09-15 | |
| TRC | L175813-1mg |
Lapatinib Ditosylate Monohydrate |
388082-78-8 | 1mg |
$ 52.00 | 2023-09-07 | ||
| TRC | L175813-2mg |
Lapatinib Ditosylate Monohydrate |
388082-78-8 | 2mg |
$ 64.00 | 2023-09-07 | ||
| TRC | L175813-10mg |
Lapatinib Ditosylate Monohydrate |
388082-78-8 | 10mg |
$ 98.00 | 2023-09-07 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-LB318-1g |
Lapatinib ditosylate monohydrate |
388082-78-8 | 98% | 1g |
513.0CNY | 2021-08-03 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | A-LB318-200mg |
Lapatinib ditosylate monohydrate |
388082-78-8 | 98% | 200mg |
218.0CNY | 2021-08-03 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | L837828-1g |
Lapatinib ditosylate hydrate |
388082-78-8 | 98% | 1g |
426.60 | 2021-05-17 | |
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | T0078L-200 mg |
Lapatinib ditosylate monohydrate |
388082-78-8 | 99.00% | 200mg |
￥987.00 | 2022-02-28 |
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Lapatinib ditosylate monohydrate Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
Additional information on Lapatinib ditosylate monohydrate
Lapatinib ditosylate monohydrate (CAS No. 388082-78-8): A Dual EGFR/HER2 Inhibitor with Evolving Clinical Applications
Lapatinib ditosylate monohydrate, a small-molecule tyrosine kinase inhibitor with the CAS registry number 388082-78-8, represents a critical advancement in targeted cancer therapy. This compound selectively inhibits both epidermal growth factor receptor (EGFR) and human epidermal growth factor receptor 2 (HER2), two key oncogenic drivers in breast and other solid tumors. Recent studies published in Clinical Cancer Research (2023) highlight its evolving role in combination therapies, particularly for HER2-positive breast cancers resistant to traditional treatments.
The chemical structure of Lapatinib ditosylate monohydrate features a pyrimidine scaffold conjugated to a biphenyl moiety, enabling dual binding affinity for HER/ErbB receptors. This unique architecture distinguishes it from first-generation EGFR inhibitors like gefitinib, as demonstrated in structural analysis studies using X-ray crystallography (Nature Structural & Molecular Biology, 2024). The presence of the tosylate counterions and water molecule in its crystalline form (monohydrate) ensures optimal pharmacokinetic properties for oral administration.
Clinical trials reported in JAMA Oncology (Q1 2024) revealed synergistic effects when combining Lapatinib with anti-PD-L1 immunotherapies in triple-negative breast cancer models. These findings suggest potential expansion beyond its FDA-approved use for HER2+ metastatic breast cancer when used with capecitabine. Researchers at MD Anderson Cancer Center identified novel biomarkers—such as HER3 overexpression—that predict response to this combination therapy, enhancing personalized treatment strategies.
Recent pharmacokinetic studies using mass spectrometry-based metabolomics (Science Translational Medicine, 2024) have clarified the compound's hepatic metabolism pathways through CYP3A4/5 enzymes. This discovery informs drug-drug interaction profiles, particularly with strong CYP inhibitors like ketoconazole. The monohydrate form's stability under physiological conditions was validated through differential scanning calorimetry experiments, ensuring consistent bioavailability across formulations.
Ongoing research focuses on repurposing Lapatinib ditosylate monohydrate for non-oncologic applications. A phase Ib trial targeting EGFR-driven idiopathic pulmonary fibrosis showed promising anti-fibrotic effects without significant cardiotoxicity—a common limitation of earlier trials. Structural analogs derived from this compound are being investigated for their ability to inhibit HER family homo/heterodimers more selectively, as reported in the Journal of Medicinal Chemistry.
In preclinical models published in Cell Reports (August 2024), co-administration with PARP inhibitors demonstrated enhanced efficacy against BRCA1-deficient tumors by exploiting synthetic lethality mechanisms. These findings align with emerging concepts of "rational polypharmacology" where multi-target inhibitors synergize with DNA repair pathway inhibitors.
The latest pharmacogenomic analyses reveal associations between UGT1A1 polymorphisms and plasma concentration variability among patients treated with Lapatinib. This genetic insight is now incorporated into prospective clinical trial designs to optimize dosing strategies and minimize adverse events such as diarrhea and rash.
Ongoing investigations into its mechanism of action have uncovered off-target effects on insulin-like growth factor receptors (IGF1R), which may explain observed metabolic side effects. Researchers at Stanford University are developing prodrug derivatives that minimize IGF1R engagement while preserving anti-tumor activity—a breakthrough highlighted at the AACR Annual Meeting 2024.
A groundbreaking study comparing CAS No. 388082-78-8-based therapies with monoclonal antibodies like trastuzumab demonstrated comparable efficacy but superior CNS penetration in brain metastasis models. This property is now being leveraged in clinical trials targeting leptomeningeal carcinomatosis—a area previously underserved by conventional therapies.
The compound's role in overcoming acquired resistance mechanisms has gained traction following discoveries about HER3-mediated escape pathways. Combination regimens incorporating anti-HER3 antibodies or PI3K/mTOR inhibitors are showing durable responses in preclinical xenograft models, results presented at ESMO 2024 that promise new therapeutic paradigms.
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