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Chemical structure of CYN 154806 TFA

GC35787

CYN 154806 TFA

Also known as (4R,7S,10S,13R,16S,19S)-19-[[(2S)-2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-10-(4-aminobutyl)-N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide;2,2,2-trifluoroacetic acid

CYN 154806 TFA, a cyclic octapeptide, is a potent and selective somatostatin sst2 receptor antagonist, with pIC50 values of 8·58, 5·41, 6·07, 5·76 and 6·48 for human recombinant sst2, sst1, sst3, sst4 and sst5 receptors respectively

ChemicalCAS2828432-46-6MW1311.36FormulaC58H69F3N12O16S2
CAS number
2828432-46-6
Molecular weight
1311.36
Formula
C58H69F3N12O16S2
Solubility
Water： 50 mg/mL (38·13 mM)
InChIKey
FYVCFCQFOBEWIO-GVGJFGMUSA-N
Catalogue number
GC35787
Brand
GLPBIO
Computed properties PubChem CID 71312046 · TPSA 512 Ų · H-bond donors 15 · H-bond acceptors 22
TPSA
512 Ų
H-bond donors
15
H-bond acceptors
22
Rotatable bonds
19
Heavy atoms
91

SMILES C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5=CC=C(C=C5)[N+](=O)[O-])NC(=O)C)C(=O)N[C@H](CC6=CC=C(C=C6)O)C(=O)N)O.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 71312046), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
Lot certificate of analysis and manufacturer SDS are emailed with your order confirmation.
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