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Chemical structure of (Cys⁸,¹³)-Dynorphin A (1-13) amide

GA20055

(Cys⁸,¹³)-Dynorphin A (1-13) amide

Also known as 17-(4-aminobutyl)-6-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-[3-(diaminomethylideneamino)propyl]-14-(2-methylpropyl)-2,5,13,16,19-pentaoxo-8,9-dithia-1,4,12,15,18-pentazabicyclo[18.3.0]tricosane-11-carboxamide

This cyclic disulfide-containing dynorphin A analog displays high kappa-potency and selectivity at the peripheral (guinea pig ileum) but not at the central (guinea pig brain) kappa-opioid receptor

ChemicalCAS127103-91-7MW1565.93FormulaC69H112N24O14S2
CAS number
127103-91-7
Molecular weight
1565.93
Formula
C69H112N24O14S2
Solubility
Soluble in DMSO
InChIKey
CIDXGGKDEWZDBR-UHFFFAOYSA-N
Catalogue number
GA20055
Brand
GLPBIO
Computed properties PubChem CID 139600453 · XLogP -3.5 · TPSA 700 Ų · H-bond donors 21
XLogP
-3.5
TPSA
700 Ų
H-bond donors
21
H-bond acceptors
21
Rotatable bonds
39
Heavy atoms
109

SMILES CC(C)CC1C(=O)NC(CSSCC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)CCCCN)CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC3=CC=CC=C3)NC(=O)CNC(=O)CNC(=O)C(CC4=CC=C(C=C4)O)N)C(=O)N

Computed descriptors from PubChem (CID 139600453), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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