Mc-Val-Cit-PAB-Gefitinib chloride

• CAT Number: I041414
• Molecular Formula: C50H63Cl2FN10O9
• Molecular Weight: 1038.00
• Purity: ≥95%
• Synonyms: N-[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[4-(3-chloro-4-fluoroanilino)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-1-ium-1-yl]methyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide;chloride
• InChI: InChI=1S/C50H62ClFN10O9.ClH/c1-32(2)46(59-43(63)10-5-4-6-21-62-44(64)17-18-45(62)65)49(67)58-39(9-7-19-54-50(53)68)48(66)57-34-13-11-33(12-14-34)30-61-31-55-47(56-35-15-16-38(52)37(51)27-35)36-28-42(41(69-3)29-40(36)61)71-24-8-20-60-22-25-70-26-23-60;/h11-18,27-29,31-32,39,46H,4-10,19-26,30H2,1-3H3,(H6,53,54,57,58,59,63,66,67,68);1H/t39-,46-;/m0./s1
• InChIKey: GXZFEBRMATXINW-POBFPDAXSA-N
• SMILES: CC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)C[N+]2=CN=C(C3=CC(=C(C=C32)OC)OCCCN4CCOCC4)NC5=CC(=C(C=C5)F)Cl)NC(=O)CCCCCN6C(=O)C=CC6=O.[Cl-]

Mc-Val-Cit-PAB-Gefitinib chloride is a agent-linker conjugates for ADC. Mc-Val-Cit-PAB-Gefitinib chloride consists of Gefitinib (HY-50895) (an EGFR tyrosine kinase inhibitor) and the ADC linker Mc-Val-Cit-PAB[1].

Reference

[1]. FLYGARE, John A, et al. Quaternary amine compounds and antibody-drug conjugates thereof. WO2016090050A1.