Maipgg
Basic information
- CAS
161876-61-5- Standard SMILES
CCOC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(N=C=S)cc1)NC(=O)CSC(C)=O- InChIKey
JEZWXSLSXPGFMT-INIZCTEOSA-N- Molecular formula
- C20H24N4O6S2
- Average molar mass
- 480.6 g/mol
- Monoisotopic mass
- 480.11372685
Overview
peptide-based bifunctional chelating agent for (99m)Tc & (186)Re labeling of monoclonal antibodies; structure in first source
Names & identifiers
- Preferred name
- Maipgg
- IUPAC
- ethyl 2-[[2-[[(2S)-2-[(2-acetylsulfanylacetyl)amino]-3-(4-isothiocyanatophenyl)propanoyl]amino]acetyl]amino]acetate
- English name
- N-(S-acetylmercaptoacetyl)-4-isothiocyanate-phenylalanyl-glycyl-glycine ethyl ester
- Molecular formula
- C20H24N4O6S2
- Molecular weight
- 480.56
Names & synonyms
Maipgg161876-61-5DTXSID00167263N-(S-Acetylmercaptoacetyl)-4-isothiocyanate-phenylalanyl-glycyl-glycine ethyl esterRefChem:925203DTXCID7089754ethyl 2-[[2-[[(2S)-2-[(2-acetylsulfanylacetyl)amino]-3-(4-isothiocyanatophenyl)propanoyl]amino]acetyl]amino]acetateGlycine, N-(N-(N-((acetylthio)acetyl)-4-isothiocyanato-L-phenylalanyl)glycyl), ethyl esterHY-122939Ethyl N-[(acetylsulfanyl)acetyl]-4-isothiocyanato-L-phenylalanylglycylglycinateGlycine, (acetylthio)acetyl-4-isothiocyanato-L-phenylalanylglycyl-, ethyl ester (9CI)
Database identifiers
- CAS
161876-61-5- PubChem CID
- 157689
- DTXSID
DTXSID00167263- Nikkaji
- J797.710G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 14
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 734
Physicochemical properties
- Boiling point
- 803.4 · 803.4±65.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 12.59 · 12.59±0.46(Predicted)
Chemistry & industry
Applications
UsesMAIPGG is a bifunctional chelator and an intermediate in the synthesis of radionuclide drug conjugates (RDCs). MAIPGG can be for the radiolabeling of a variety of monoclonal antibodies with 99mTc or 186Re, which then can be used for radioimmunodetection and radioimmunotherapy of cancer[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…