MC-Val-Cit-PAB-Exatecan

For research use only. Not for therapeutic Use.

  • CAT Number: I043846
  • CAS Number: 2504068-28-2
  • Molecular Formula: C53H60FN9O12
  • Molecular Weight: 1034.10
  • Purity: ≥95%
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MC-Val-Cit-PAB-Exatecan(Cat No.:I043846)is an antibody-drug conjugate (ADC) designed for targeted cancer therapy. It consists of a cytotoxic drug, Exatecan, linked to a monoclonal antibody via a Valine-Citrulline (Val-Cit) linker and a p-aminobenzyl alcohol (PAB) spacer. The conjugate targets specific cancer cells by binding to antigens expressed on their surface, delivering the potent chemotherapeutic agent directly to the tumor while minimizing damage to healthy tissue. This targeted approach improves the therapeutic index of Exatecan, making MC-Val-Cit-PAB-Exatecan a promising candidate for treating various cancers.


CAS Number 2504068-28-2
Synonyms

[4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamate

Molecular Formula C53H60FN9O12
Purity ≥95%
IUPAC Name [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamate
InChI InChI=1S/C53H60FN9O12/c1-5-53(73)34-22-39-46-32(24-63(39)49(69)33(34)26-74-50(53)70)44-36(17-16-31-28(4)35(54)23-38(58-46)43(31)44)60-52(72)75-25-29-12-14-30(15-13-29)57-47(67)37(10-9-20-56-51(55)71)59-48(68)45(27(2)3)61-40(64)11-7-6-8-21-62-41(65)18-19-42(62)66/h12-15,18-19,22-23,27,36-37,45,73H,5-11,16-17,20-21,24-26H2,1-4H3,(H,57,67)(H,59,68)(H,60,72)(H,61,64)(H3,55,56,71)/t36-,37-,45-,53-/m0/s1
InChIKey LTDBDCBQBJSDFT-AZRSLHAWSA-N
SMILES CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)OCC7=CC=C(C=C7)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN8C(=O)C=CC8=O)O
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