OH-Glu-Val-Cit-PAB-MMAE

For research use only. Not for therapeutic Use.

  • CAT Number: I042639
  • CAS Number: 1895916-23-0
  • Molecular Formula: C63H100N10O15
  • Molecular Weight: 1237.53
  • Purity: ≥95%
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OH-Glu-Val-Cit-PAB-MMAE(Cat No.:I042639)is a compound utilized in the synthesis of antibody-drug conjugates (ADCs). It comprises a cleavable linker sequence—Glu-Val-Cit-PAB—and monomethyl auristatin E (MMAE), a potent microtubule inhibitor. The Glu-Val-Cit-PAB linker is designed to be stable in the bloodstream but cleaved by specific intracellular proteases upon internalization into target cells, thereby releasing the cytotoxic MMAE to induce cell death. This design allows for targeted delivery of the cytotoxic agent, minimizing systemic toxicity. Such ADCs have shown efficacy in treating various cancers by selectively targeting and killing tumor cells while sparing healthy tissues.


CAS Number 1895916-23-0
Synonyms

5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Molecular Formula C63H100N10O15
Purity ≥95%
IUPAC Name 5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
InChI InChI=1S/C63H100N10O15/c1-15-39(8)54(47(86-13)34-49(75)73-33-21-25-46(73)56(87-14)40(9)57(79)66-41(10)55(78)43-22-17-16-18-23-43)71(11)61(83)52(37(4)5)70-60(82)53(38(6)7)72(12)63(85)88-35-42-28-30-44(31-29-42)67-58(80)45(24-20-32-65-62(64)84)68-59(81)51(36(2)3)69-48(74)26-19-27-50(76)77/h16-18,22-23,28-31,36-41,45-47,51-56,78H,15,19-21,24-27,32-35H2,1-14H3,(H,66,79)(H,67,80)(H,68,81)(H,69,74)(H,70,82)(H,76,77)(H3,64,65,84)/t39-,40+,41+,45-,46-,47+,51-,52-,53-,54-,55+,56+/m0/s1
InChIKey XKQGZQVGYMIHEK-GJIHENSZSA-N
SMILES CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@H](C)[C@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)CCCC(=O)O
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