CL2E-SN38 TFA

For research use only. Not for therapeutic Use.

  • CAT Number: I044095
  • Molecular Formula: C89H117F3N14O26
  • Molecular Weight: 1855.95
  • Purity: ≥95%
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CL2E-SN38 TFA(Cat No.:I044095)is a potent antibody-drug conjugate (ADC) linker-payload compound, consisting of SN38, the active metabolite of irinotecan, conjugated via the CL2E cleavable linker and stabilized as a trifluoroacetate (TFA) salt. This design enables targeted delivery of the cytotoxic SN38 to tumor cells, enhancing efficacy while minimizing systemic toxicity. The CL2E linker is engineered for enzymatic cleavage within the tumor microenvironment, releasing SN38 to inhibit topoisomerase I, leading to DNA damage and apoptosis. CL2E-SN38 TFA is widely used in ADC development for solid tumors and hematologic malignancies.


Synonyms

[(19S)-10,19-diethyl-19-hydroxy-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-7-yl] N-[2-[[4-[[(2S)-6-amino-2-[[(2S,5Z)-2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]octa-5,7-dienoyl]amino]hexanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate;2,2,2-trifluoroacetic acid

Molecular Formula C89H117F3N14O26
Purity ≥95%
IUPAC Name [(19S)-10,19-diethyl-19-hydroxy-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-7-yl] N-[2-[[4-[[(2S)-6-amino-2-[[(2S,5Z)-2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetyl]amino]octa-5,7-dienoyl]amino]hexanoyl]amino]phenyl]methoxycarbonyl-methylamino]ethyl]-N-methylcarbamate;2,2,2-trifluoroacetic acid
InChI InChI=1S/C86H118N14O24.C2HF3O2/c1-6-9-10-11-14-71(91-75(102)58-121-57-74(101)88-29-33-113-35-37-115-39-41-117-43-45-119-47-48-120-46-44-118-42-40-116-38-36-114-34-32-98-53-63(94-95-98)51-89-79(105)61-20-16-59(17-21-61)52-100-76(103)26-27-77(100)104)81(107)93-72(15-12-13-28-87)80(106)90-62-22-18-60(19-23-62)55-123-84(110)96(4)30-31-97(5)85(111)124-64-24-25-70-66(49-64)65(7-2)67-54-99-73(78(67)92-70)50-69-68(82(99)108)56-122-83(109)86(69,112)8-3;3-2(4,5)1(6)7/h6,9-10,18-19,22-27,49-50,53,59,61,71-72,112H,1,7-8,11-17,20-21,28-48,51-52,54-58,87H2,2-5H3,(H,88,101)(H,89,105)(H,90,106)(H,91,102)(H,93,107);(H,6,7)/b10-9-;/t59?,61?,71-,72-,86-;/m0./s1
InChIKey VYXFICTXNHMPAF-ZRVFGHKPSA-N
SMILES CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N(C)CCN(C)C(=O)OCC6=CC=C(C=C6)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC/C=C\C=C)NC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCN7C=C(N=N7)CNC(=O)C8CCC(CC8)CN9C(=O)C=CC9=O.C(=O)(C(F)(F)F)O
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