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Cyprodime

CAT: 0804-HY-107750Size: 1 EachDry Ice: NoHazardous: No
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Description
Cyprodime is a selective μ opioid receptor (MOR) antagonist with Kis of 5.4, 244.6, and 2187 nM for μ, δ, and κ, respectively[1].
CAS Number
118111-54-9
UNSPSC
12352005
Target
Opioid Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Solubility
10 mM in DMSO
Smiles
CO[C@@]12[C@]3(CC(CC2)=O)C4=C(OC)C=CC=C4C[C@@]1([H])N(CC5CC5)CC3
Molecular Formula
C22H29NO3
Molecular Weight
355.47
References & Citations
[1]Márki A, et al. Mu-opioid receptor specific antagonist cyprodime: characterization by in vitro radioligand and [35S]GTPgammaS binding assays. Eur J Pharmacol. 1999;383 (2) :209-214.|[2]Zhang Z, , et al. Role of µ, κ, and δ opioid receptors in tibial inhibition of bladder overactivity in cats. J Pharmacol Exp Ther. 2015;355 (2) :228-234.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Cyprodime

RN & structure given in first source; RN given refers to parent cpd

CAS Number118111-54-9
PubChem CID5748293
IUPAC Name(1R,9R,10S)-17-(cyclopropylmethyl)-3,10-dimethoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one
Molecular FormulaC22H29NO3
Molecular Weight355.5
XLogP2.5
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity576
SMILES
COC1=CC=CC2=C1[C@]34CCN([C@H](C2)[C@@]3(CCC(=O)C4)OC)CC5CC5
InChI
InChI=1S/C22H29NO3/c1-25-18-5-3-4-16-12-19-22(26-2)9-8-17(24)13-21(22,20(16)18)10-11-23(19)14-15-6-7-15/h3-5,15,19H,6-14H2,1-2H3/t19-,21-,22-/m1/s1
InChIKey
INUCRGMCKDQKNA-CEMLEFRQSA-N
Chemical Structure
2D Structure
2D structure of Cyprodime
CAS: 118111-54-9
CID: 5748293
Formula: C22H29NO3
MW: 355.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.5
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass355.21474379
Monoisotopic Mass355.21474379
Topological Polar Surface Area38.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity576
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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