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Chemical structure of Taltirelin acetate

GC37732

Taltirelin acetate

Also known as acetic acid;(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide

Taltirelin acetate (TA-0910 acetate) is a superagonist at thyrotropin-releasing hormone receptor (TRH-R) with an IC50 of 910 nM and EC50 of 36 nM for stimulating an increase in cytosolic Ca2+ concentration (Ca2+ release)

ChemicalCAS1549593-23-8MW465.46FormulaC19H27N7O7
CAS number
1549593-23-8
Molecular weight
465.46
Formula
C19H27N7O7
Solubility
DMSO： 125 mg/mL (268·55 mM)
InChIKey
AQWPSTSKDKFSRT-LFELFHSZSA-N
Catalogue number
GC37732
Brand
GLPBIO
Computed properties PubChem CID 86346477 · TPSA 208 Ų · H-bond donors 5 · H-bond acceptors 8
TPSA
208 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
33

SMILES CC(=O)O.CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N

Computed descriptors from PubChem (CID 86346477), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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