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Val-Cit-PAB-MMAD

Item No. 45988

Technical Information
Formal Name
N-methyl-N-[[[4-[[L-valyl-N-(aminocarbonyl)-L-ornithyl]amino]phenyl]methoxy]carbonyl]-L-valyl-N-[(1S,2R)-2-methoxy-4-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(2-thiazolyl)ethyl]amino]propyl]-1-pyrrolidinyl]-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-L-valinamide
CAS Number
1415329-13-3
Synonyms
  • Val-Cit-PAB-monomethyl Auristatin D
  • Val-Cit-PAB-monomethyl Dolastatin 10
Molecular Formula
C60H93N11O11S
Formula Weight
Purity
≥98%
A solid
Acetonitrile:Water (1:1): Sparingly soluble: 1-10 mg/ml
SMILES
O=C(N[C@H](C1=NC=CS1)CC2=CC=CC=C2)[C@H](C)[C@H]([C@@]3([H])N(CCC3)C(C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C([C@H](C(C)C)NC([C@H](C(C)C)N(C)C(OCC4=CC=C(C=C4)NC([C@H](CCCNC(N)=O)NC([C@@H](N)C(C)C)=O)=O)=O)=O)=O)=O)OC
InChi Code
InChI=1S/C60H93N11O11S/c1-14-38(8)51(46(80-12)33-47(72)71-30-19-23-45(71)52(81-13)39(9)53(73)67-44(57-63-29-31-83-57)32-40-20-16-15-17-21-40)69(10)58(77)49(36(4)5)68-56(76)50(37(6)7)70(11)60(79)82-34-41-24-26-42(27-25-41)65-54(74)43(22-18-28-64-59(62)78)66-55(75)48(61)35(2)3/h15-17,20-21,24-27,29,31,35-39,43-46,48-52H,14,18-19,22-23,28,30,32-34,61H2,1-13H3,(H,65,74)(H,66,75)(H,67,73)(H,68,76)(H3,62,64,78)/t38-,39+,43-,44-,45-,46+,48-,49-,50-,51-,52+/m0/s1
InChi Key
GXCUHADNABTLIA-VTSYECEKSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    Product Description

    Val-Cit-PAB-MMAD is a building block that contains the tubulin inhibitor monomethyl auristatin D (MMAD) and a Val-Cit-PAB linker region. It has been used in the synthesis of antibody-drug conjugates (ADCs) containing trastuzumab that are cytotoxic to breast cancer cells in vitro.1

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Chen, B., Gianolio, D.A., Stefano, J.E., et alDesign, synthesis, and in vitro evaluation of multivalent drug linkers for high-drug-load antibody-drug conjugates. ChemMedChem 13(8), 790-794 (2018).