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Dermorphin (TFA)

CAT: 0804-HY-P0244A-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-P0244A-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Dermorphin TFA is a natural heptapeptide μ-opioid receptor (MOR) agonist found in amphibian skin. Inhibition of neuropathic pain[1].
CAS Number
78331-26-7
UNSPSC
12352209
Target
Opioid Receptor
Type
Peptides
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/dermorphin-tfa.html
Solubility
H2O
Smiles
OC(C=C1)=CC=C1C[C@H](NC(CNC([C@@H](NC([C@@H](C)NC([C@@H](N)CC2=CC=C(O)C=C2)=O)=O)CC3=CC=CC=C3)=O)=O)C(N4[C@@H](CCC4)C(N[C@@H](CO)C(N)=O)=O)=O.OC(C(F)(F)F)=O
Molecular Formula
C42H51F3N8O12
Molecular Weight
916.90
References & Citations
[1]Tiwari V, et al. Activation of Peripheral μ-opioid Receptors by Dermorphin [D-Arg2, Lys4] (1-4) Amide Leads to Modality-preferred Inhibition of Neuropathic Pain. Anesthesiology. 2016 Mar;124 (3) :706-20.|[2]Bird MF, et al. Characterisation of the Novel Mixed Mu-NOP Peptide Ligand Dermorphin-N/OFQ (DeNo) . PLoS One. 2016 Jun 7;11 (6) :e0156897.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported
Isoform
μ Opioid Receptor/MOR

Chemical Information

Dermorphin Trifluoroacetic Acid Salt
CAS Number78331-26-7
PubChem CID131698721
IUPAC Name(2S)-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-1-[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid
Molecular FormulaC42H51F3N8O12
Molecular Weight916.9
Topological Polar Surface Area333
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count19
Heavy Atom Count65
Formal Charge0
Complexity1500
SMILES
C[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C40H50N8O10.C2HF3O2/c1-23(44-37(55)29(41)18-25-9-13-27(50)14-10-25)36(54)46-30(19-24-6-3-2-4-7-24)38(56)43-21-34(52)45-31(20-26-11-15-28(51)16-12-26)40(58)48-17-5-8-33(48)39(57)47-32(22-49)35(42)53;3-2(4,5)1(6)7/h2-4,6-7,9-16,23,29-33,49-51H,5,8,17-22,41H2,1H3,(H2,42,53)(H,43,56)(H,44,55)(H,45,52)(H,46,54)(H,47,57);(H,6,7)/t23-,29+,30+,31+,32+,33+;/m1./s1
InChIKey
MUBFSOVWSMFSSQ-YYEHHWDVSA-N
Chemical Structure
2D Structure
2D structure of Dermorphin Trifluoroacetic Acid Salt
CAS: 78331-26-7
CID: 131698721
Formula: C42H51F3N8O12
MW: 916.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight916.9
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count16
Rotatable Bond Count19
Exact Mass916.35785358
Monoisotopic Mass916.35785358
Topological Polar Surface Area333 Ų
Heavy Atom Count65
Formal Charge0
Complexity1500
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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MBS5758629Dermorphin TFA
D247980Hyp6-Dermorphin TFA Salt
P229595(Phe4)-Dermorphin (1-4) Amide H-Tyr-D-Ala-Phe-Phe-NH2 TFA Salt
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MBS826272-01Dermorphin

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