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Val-Cit-PAB-MMAE TFA salt

  CAS No.: 1608127-32-7   Cat No.: BADC-01348 4.5  

Val-Cit-PAB-MMAE TFA salt, a tubulin polymerase inhibitor, is a drug-linker conjugate for ADC. It contains an ADC linker (peptide Val-Cit-PAB) and a potent tubulin inhibitor MMAE.

Val-Cit-PAB-MMAE TFA salt

Structure of 1608127-32-7

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Category
ADC Cytotoxin
Molecular Formula
C58H94N10O12.C2HF3O2
Molecular Weight
1237.47
Shipping
Store at -20°C

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

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Synonyms
4-((S)-2-((S)-2-amino-3-methylbutanamido)-5-ureidopentanamido)benzyl ((S)-1-(((S)-1-(((3R,4S,5S)-1-((S)-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)(methyl)amino)-3-methyl-1-oxobutan-2-yl)amino)-3-methyl-1-oxobutan-2-yl)(methyl)carbamate TFA salt
IUPAC Name
[4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl N-[(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]-N-methylcarbamate;2,2,2-trifluoroacetic acid
Canonical SMILES
CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C58H94N10O12.C2HF3O2/c1-15-36(8)49(44(78-13)31-45(69)68-30-20-24-43(68)51(79-14)37(9)52(71)62-38(10)50(70)40-21-17-16-18-22-40)66(11)56(75)47(34(4)5)65-55(74)48(35(6)7)67(12)58(77)80-32-39-25-27-41(28-26-39)63-53(72)42(23-19-29-61-57(60)76)64-54(73)46(59)33(2)3;3-2(4,5)1(6)7/h16-18,21-22,25-28,33-38,42-44,46-51,70H,15,19-20,23-24,29-32,59H2,1-14H3,(H,62,71)(H,63,72)(H,64,73)(H,65,74)(H3,60,61,76);(H,6,7)/t36-,37+,38+,42-,43-,44+,46-,47-,48-,49-,50+,51+;/m0./s1
InChIKey
PTLGXXYMYOVYMC-JKVFDOJYSA-N
Storage
Store at -20°C

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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Historical Records: Boc-NH-PEG3-C2-triazole-DBCO-PEG4-VC-PAB-DMEA | Eribulin Mesylate | perfluorophenyl 3-(pyridin-2-yldisulfanyl)propanoate | Acid-PEG2-SS-PEG2-acid | MC-Val-Cit-PAB-dimethylDNA31 | Biotin-PEG4-SS-Alkyne | MC-VC-PABC-Aur0101 | 4-Formyl-N-(2-(3-Methoxyphenoxy)ethyl)benzamide | bis(2,5-dioxopyrrolidin-1-yl) 4,4'-disulfanediyldibutanoate | Azido-PEG5-propionic acid | Val-Cit-PAB-MMAE TFA salt
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