二甲苯磺酸拉帕替尼一水合物

Description

Lapatinib ditosylate monohydrate · CAS 388082-78-8 · C29H26ClFN4O4S. UNII 0VUA21238F. Solubility: 2.23e-02 g/L; LogP: 5.4.

Identification

CAS Registry Number	388082-78-8
PubChem CID	208908
Molecular formula	C29H26ClFN4O4S
IUPAC name	N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]quinazolin-4-amine
UNII (FDA)	0VUA21238F

Computed Descriptors

Molecular Weight	581.1
XLogP3	5.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	11
Exact Mass	580.1347324
Monoisotopic Mass	580.1347324
Topological Polar Surface Area	115
Heavy Atom Count	40
Formal Charge	0

Physical & Chemical Properties

Solubility	2.23e-02 g/L
LogP	5.4

Physical description & handling notes

• Solid
• Yellow solid. Solubility at 25 eg C (mg/mL): 0.007 in water; 0.001 in 0.1 N HCl /Lapatinib ditoluenesulfonate monohydrate/
• Stable if stored as directed; avoid strong oxidizing agents.
• Thermal decomposition may produce toxic gases such as carbon monoxide, carbon dioxide, and nitrogen oxides.
• pKa1 = 3.80 (amine); pKa2 = 7.20 (amine)
• Lapatinib is a small molecule and a member of the 4-anilinoquinazoline class of kinase inhibitors. An anti-cancer drug, lapatinib was developed by GlaxoSmithKline (GSK) as a treatment for solid tumours such as breast and lung cancer. It was approved by the FDA on March 13, 2007, for use in patients with advanced metastatic breast cancer in conjunction with the chemotherapy drug capecitabine.

GHS Hazard Classification

Reported hazard statements	H319 (50%), H362 (100%), H413 (100%)

Documented Uses

• Antineoplastic Agents; Protein Kinase Inhibitors
• Use (kg; approx.) in Germany (2009): >250
• Use (kg; exact) in Germany (2009): 287
• Consumption (g per capita; approx.) in Germany (2009): 0.00305
• Consumption (g per capita; exact) in Germany (2009): 0.0035
• The synthesis route for /lapatinib/ ... involves a Suzuki coupling of 5-formyl-2-furanboronic acid with the iodo-substituted quinazoline derivative.

Synonyms

Lapatinib; 231277-92-2; GW572016; GW 572016; GSK 572016; DTXSID7046675; GW-572016; GSK572016; GSK-572016; 0VUA21238F; GW-572016X; DTXCID5026675; CHEBI:49603; GW2016; lapatinibum; RefChem:798502

Frequently Asked Questions

What are the CAS number and molecular formula of Lapatinib ditosylate monohydrate?

CAS 388082-78-8; molecular formula C29H26ClFN4O4S; molecular weight — g/mol.

What other names is Lapatinib ditosylate monohydrate known by?

Lapatinib, 231277-92-2, GW572016, GW 572016, GSK 572016, DTXSID7046675.

Is Lapatinib ditosylate monohydrate classified as hazardous?

Hazard statements reported: H319, H362, H413.

What are the key physical properties of Lapatinib ditosylate monohydrate?

Solubility: 2.23e-02 g/L; LogP: 5.4.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.