QCP01

For research use only. Not for therapeutic Use.

  • CAT Number: I035303
  • Molecular Formula: C66H75N7O17S4
  • Molecular Weight: 1366.598
  • Purity: 98%
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QCP01 is a new imaging agent for cancer study.


Catalog Number I035303
Synonyms

QCP01; QCP-01; QCP 01;

Molecular Formula C66H75N7O17S4
Purity 98%
Solubility To be determined
Appearance Solid powder
Storage Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
IUPAC Name 1-(6-((3-((4-((2-((S)-2-cyanopyrrolidin-1-yl)-2-oxoethyl)carbamoyl)quinolin-6-yl)oxy)propyl)amino)-6-oxohexyl)-2-((E)-2-((E)-3-(2-((E)-3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indolin-2-ylidene)ethylidene)-2-(4-sulfophenoxy)cyclohex-1-en-1-yl)vinyl)-3,3-dimethyl-3H-indol-1-ium-5-sulfonate
InChI InChI=1S/C66H75N7O17S4/c1-65(2)54-40-50(93(83,84)85)24-27-57(54)72(34-7-5-6-16-61(74)69-32-12-37-89-48-21-26-56-53(39-48)52(31-33-68-56)64(76)70-43-62(75)71-36-11-15-46(71)42-67)59(65)29-17-44-13-10-14-45(63(44)90-47-19-22-49(23-20-47)92(80,81)82)18-30-60-66(3,4)55-41-51(94(86,87)88)25-28-58(55)73(60)35-8-9-38-91(77,78)79/h17-31,33,39-41,46H,5-16,32,34-38,43H2,1-4H3,(H5-,69,70,74,76,77,78,79,80,81,82,83,84,85,86,87,88)/t46-/m0/s1
InChIKey JPMCOMGUYMABHG-DXQCBLCSSA-N
SMILES O=S(C1=CC2=C(C=C1)[N+](CCCCCC(NCCCOC3=CC=C4N=CC=C(C4=C3)C(NCC(N5[C@@H](CCC5)C#N)=O)=O)=O)=C(C2(C)C)/C=C/C6=C(/C(CCC6)=C/C=C7N(C8=C(C/7(C)C)C=C(C=C8)S(=O)(O)=O)CCCCS(=O)(O)=O)OC9=CC=C(C=C9)S(=O)(O)=O)([O-])=O
Reference

1: Slania SL, Das D, Lisok A, Du Y, Jiang Z, Mease RC, Rowe SP, Nimmagadda S, Yang X, Pomper MG. Imaging of Fibroblast Activation Protein in Cancer Xenografts Using Novel (4-Quinolinoyl)-glycyl-2-cyanopyrrolidine-Based Small Molecules. J Med Chem. 2021 Mar 17. doi: 10.1021/acs.jmedchem.0c02171. Epub ahead of print. PMID: 33730493.

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