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Chemical structure of HYNIC-iPSMA TFA

GC74402

HYNIC-iPSMA TFA

Also known as (2S)-2-[[(1S)-1-carboxy-5-[[(2S)-2-[(6-hydrazinylpyridine-3-carbonyl)amino]-3-naphthalen-2-ylpropanoyl]amino]pentyl]carbamoylamino]pentanedioic acid;2,2,2-trifluoroacetic acid

NIC-iPSMA TFA is a ligand for molecular imaging of tumors· nic-ipsma consists of two components: NIC (6-drazinonicotinamide) and iPSMA (Inhibitor of Prostate-Specific Membrane Antigen)

ChemicalCAS2375849-11-7MW765.69FormulaC33H38F3N7O11
CAS number
2375849-11-7
Molecular weight
765.69
Formula
C33H38F3N7O11
Solubility
DMSO : 100 mg/mL (130·60 mM; Need ultrasonic)
InChIKey
PKIAQERMYBSXOA-NYTZCTPBSA-N
Catalogue number
GC74402
Brand
GLPBIO
Computed properties PubChem CID 171714291 · TPSA 299 Ų · H-bond donors 10 · H-bond acceptors 17
TPSA
299 Ų
H-bond donors
10
H-bond acceptors
17
Rotatable bonds
18
Heavy atoms
54

SMILES C1=CC=C2C=C(C=CC2=C1)C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)C3=CN=C(C=C3)NN.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 171714291), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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