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RS-64459-193

CAT: 0804-HY-120498Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-120498Size:1 Each
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Description
RS-64459-193 is a 5-HT1A receptor partial agonist with a Ki of 24.9 nM. RS-64459-193 also shows high affinity for 5-HT2C, 5-HT2A and 5-HT7 with pKi values of 6.87, 7.02, and 7.18, respectively. RS-64459-193 is almost devoid of activity at the m 5-HT3 receptor[1].
CAS Number
123882-89-3
UNSPSC
12352005
Target
5-HT 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/rs-64459-193.html
Smiles
O=C1N(C(CC2(CCCC2)C1)=O)CCCCN3CC4C5=C(CCC4)C=CC(Cl)=C5CC3.[H]Cl
Molecular Formula
C26H36Cl2N2O2
Molecular Weight
479.48
References & Citations
[1]M Spedding, et al. Interaction of the anxiogenic agent, RS-30199, with 5-HT1A receptors: modulation of sexual activity in the male rat. Neuropharmacology. 1998 Jun;37 (6) :769-80.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
5-HT1 Receptor;5-HT2 Receptor;5-HT7 Receptor; lactoferrin; mLAG-3; MUC3; α-1 microglobulin

Chemical Information

RS 64459-193

structure given in first source

CAS Number123882-89-3
PubChem CID130067
IUPAC Name8-[4-(8-chloro-11-azatricyclo[7.4.1.05,14]tetradeca-5(14),6,8-trien-12-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
Molecular FormulaC26H36Cl2N2O2
Molecular Weight479.5
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity656
SMILES
C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCC3CC4CCCC5=C4C(=C(C=C5)Cl)CN3.Cl
InChI
InChI=1S/C26H35ClN2O2.ClH/c27-22-10-9-18-6-5-7-19-14-20(28-17-21(22)25(18)19)8-1-4-13-29-23(30)15-26(16-24(29)31)11-2-3-12-26;/h9-10,19-20,28H,1-8,11-17H2;1H
InChIKey
UAFJPCSWTKNENY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RS 64459-193
CAS: 123882-89-3
CID: 130067
Formula: C26H36Cl2N2O2
MW: 479.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass478.2153838
Monoisotopic Mass478.2153838
Topological Polar Surface Area49.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity656
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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