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MC-AAA-NHCH2OCH2COO-7-aminomethyl-10-methyl-11-fluoro camptothecin

CAS No.: 2414594-29-7

Cat No.: BADC-01444 4.5

MC-AAA-NHCH2OCH2COO-7-aminomethyl-10-methyl-11-fluoro camptothecin (compound 21a) is a camptothecin payload that can be conjugated with a monoclonal antibody (mAb) to synthesize a camptothecin antibody drug conjugate ( ADC).

MC-AAA-NHCH2OCH2COO-7-aminomethyl-10-methyl-11-fluoro camptothecin

Structure of 2414594-29-7

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ADC Cytotoxin

Molecular Formula

C44H51FN8O12

Molecular Weight

902.92

* For research and manufacturing use only. We do not sell to patients.

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Synonyms

MC-AAA-NHCH2OCH2COO-7-aminomethyl-10-methyl-11-fluoro camptothecin

IUPAC Name

6-(2,5-dioxopyrrol-1-yl)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-10-yl]methylamino]-2-oxoethoxy]methylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]hexanamide

Canonical SMILES

CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=C(C=C(C(=C5)C)F)N=C4C3=C2)CNC(=O)COCNC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)CCCCCN6C(=O)C=CC6=O)O

InChI

InChI=1S/C44H51FN8O12/c1-6-44(63)30-15-33-38-28(18-53(33)42(61)29(30)19-65-43(44)62)27(26-14-22(2)31(45)16-32(26)51-38)17-46-35(55)20-64-21-47-39(58)23(3)49-41(60)25(5)50-40(59)24(4)48-34(54)10-8-7-9-13-52-36(56)11-12-37(52)57/h11-12,14-16,23-25,63H,6-10,13,17-21H2,1-5H3,(H,46,55)(H,47,58)(H,48,54)(H,49,60)(H,50,59)/t23-,24-,25-,44-/m0/s1

InChIKey

BENZIHFYRZCGIE-NJUCZJDQSA-N

Catalog	Product Name	CAS	Inquiry
BADC-01443	7-Aminomethyl-10-methyl-11-fluoro camptothecin	2378616-23-8

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