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Ro 64-6198

CAT: 0804-HY-12844Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-12844Size:5 mg
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Description
Ro 64-6198 is a potent, selective, nonpeptide, high-affinity, high cellular permeability and brain penetration N/OFQ receptor (NOP) agonist with an EC50 value of 25.6 nM. Ro 64-6198 is at least 100 times more selective for the NOP receptor over the classic opioid receptors. Ro 64-6198 can be used for stress and anxiety, addiction, neuropathic pain, cough, and anorexia[1][2].
CAS Number
280783-56-4
UNSPSC
12352005
Target
Opioid Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/ro-64-6198.html
Purity
99.82
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C1NCN(C2=CC=CC=C2)C13CCN([C@H]4CC[C@]5([H])CCCC6=C5C4=CC=C6)CC3
Molecular Formula
C26H31N3O
Molecular Weight
401.54
References & Citations
[1]Shoblock JR. The pharmacology of Ro 64-6198, a systemically active, nonpeptide NOP receptor (opiate receptor-like 1, ORL-1) agonist with diverse preclinical therapeutic activity. CNS Drug Rev. 2007 Spring;13 (1) :107-36.|[2]Chang SD, et al. Novel Synthesis and Pharmacological Characterization of NOP Receptor Agonist 8-[ (1S,3aS) -2,3,3a,4,5,6-Hexahydro-1H-phenalen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (Ro 64-6198) . ACS Chem Neurosci. 2015 Dec 16;6 (12) :1956-64.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1
Isoform
NOP Receptor/ORL1

Chemical Information

ND1251

ND1251 is an orally active phosphodiesterase-4 (PDE4) inhibitor, a mechanism clinically proven to play a role in alleviating symptoms of depression. ND1251 is a very potent compound with a large safety margin. ND1251 may also have applications in other disorders, such as Alzheimer's disease, mild cognitive impairment, multiple sclerosis and certain respiratory diseases.

CAS Number280783-56-4
PubChem CID9844019
IUPAC Name8-[(1S,3aS)-2,3,3a,4,5,6-hexahydro-1H-phenalen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular FormulaC26H31N3O
Molecular Weight401.5
XLogP4.8
Topological Polar Surface Area35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity636
SMILES
C1C[C@H]2CC[C@@H](C3=CC=CC(=C23)C1)N4CCC5(CC4)C(=O)NCN5C6=CC=CC=C6
InChI
InChI=1S/C26H31N3O/c30-25-26(29(18-27-25)21-9-2-1-3-10-21)14-16-28(17-15-26)23-13-12-20-7-4-6-19-8-5-11-22(23)24(19)20/h1-3,5,8-11,20,23H,4,6-7,12-18H2,(H,27,30)/t20-,23-/m0/s1
InChIKey
JLFMYEAXZNPWBK-REWPJTCUSA-N
Chemical Structure
2D Structure
2D structure of ND1251
CAS: 280783-56-4
CID: 9844019
Formula: C26H31N3O
MW: 401.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.5
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass401.246712621
Monoisotopic Mass401.246712621
Topological Polar Surface Area35.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity636
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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