CAS 248594-19-6 Erlotinib mesylate (HCID 9913428)

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Basic information

CAS: 248594-19-6
Standard SMILES: C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1.CS(=O)(=O)O
InChIKey: PCBNMUVSOAYYIH-UHFFFAOYSA-N
Molecular formula: C23H27N3O7S
Average molar mass: 489.5 g/mol

Names & identifiers

Preferred name: Erlotinib mesylate
IUPAC: N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;methanesulfonic acid
English name: ERLOTINIB MESYLATE
Molecular formula: C23H27N3O7S
Molecular weight: 489.54

Names & synonyms

ERLOTINIB MESYLATE248594-19-6Erlotinib (mesylate)N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine;methanesulfonic acid248594-19-6 (mesylaye)ERLOTINIBMESYLATESCHEMBL33835orb1710710Erlotinib, Methanesulfonate SaltC23H27N3O7SPCBNMUVSOAYYIH-UHFFFAOYSA-NHY-12008A

Show more names

CP-358Erlotinib (OSI-744) mesylateErlotinib mesylate (CP-358774CP-358774OSI-774NSC 718781R 1415TARCEVACP-358774OSI-774NSC 718781R 1415

AKOS030526750CS-1586FE65018T0373L1N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine methansulfonic acidN-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine methanesulfonateDA-52985n-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)-4-quinazolinamine mesylate salt

Database identifiers

CAS: 248594-19-6

Properties

Computed structural properties

Topological polar surface area: 137 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 10
Rotatable bonds: 11
Heavy atoms: 34
Formal charge: 0
Complexity: 618

Physicochemical properties

storage temp.: -20 °C · Store at -20°C
solubility: 25 ℃: · 25℃: DMSO
form: Powder

Chemistry & industry

Applications · 1 item

UsesErlotinib mesylate (CP-358774 mesylate) inhibits purified EGFR kinase with an IC50 of 2 nM. Erlotinib (mesylate) is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.