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AP1189 acetate

CAT: 0931-T9596-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T9596-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
959850-74-9
Target
Melanocortin Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
0.9995
Bioactivity
AP1189 acetate is a biased agonist at melanocortin 1 and melanocortin 3 receptors.
Smiles
O=[N+](C1=CC=CC=C1N2C(/C=C/C=N/NC(N)=N)=CC=C2)[O-].CC(O)=O
Molecular Formula
C16H18N6O4
Molecular Weight
358.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Resomelagon acetate
CAS Number959850-74-9
PubChem CID163358504
IUPAC Nameacetic acid;2-[(E)-[(E)-3-[1-(2-nitrophenyl)pyrrol-2-yl]prop-2-enylidene]amino]guanidine
Molecular FormulaC16H18N6O4
Molecular Weight358.35
Topological Polar Surface Area165
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity497
SMILES
CC(=O)O.C1=CC=C(C(=C1)N2C=CC=C2/C=C/C=N/N=C(N)N)[N+](=O)[O-]
InChI
InChI=1S/C14H14N6O2.C2H4O2/c15-14(16)18-17-9-3-5-11-6-4-10-19(11)12-7-1-2-8-13(12)20(21)22;1-2(3)4/h1-10H,(H4,15,16,18);1H3,(H,3,4)/b5-3+,17-9+;
InChIKey
FIESOFUABUPMMH-WAJHRQJSSA-N
Chemical Structure
2D Structure
2D structure of Resomelagon acetate
CAS: 959850-74-9
CID: 163358504
Formula: C16H18N6O4
MW: 358.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.35
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass358.13895308
Monoisotopic Mass358.13895308
Topological Polar Surface Area165 Ų
Heavy Atom Count26
Formal Charge0
Complexity497
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5786445AP1189 acetate
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A22488-50AP1189 acetate 50mg
A22488-10AP1189 acetate 10mg
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