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Ro 64-6198

SIGMA/SML1936 - ≥98% (HPLC)

Synonym: (1S,3aS)-8-(2,3,3a,4,5,6-Hexahydro-1H-phenalen-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one; 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; Ro64-6198

CAS Number: 280783-56-4
Empirical Formula (Hill Notation): C26H31N3O
Molecular Weight: 401.54
MDL Number: MFCD04113242
Linear Formula: C26H31N3O
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-SML1936-5MG 5 mg
 $145.00
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45-SML1936-25MG 25 mg
 $584.00
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This image depicts SML1936-5MG.

 

assay ≥98% (HPLC)
color white to beige
form powder
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
InChI key JLFMYEAXZNPWBK-REWPJTCUSA-N
Quality Level 100 
SMILES string O=C1C2(CCN([C@]3([H])C4=CC=CC5=C4[C@](CCC5)([H])CC3)CC2)N(C6=CC=CC=C6)CN1
solubility DMSO: 2 mg/mL, clear
storage temp. 2-8°C
Biochem/physiol Actions: A brain-penetrant, nonpeptidic, high-affinity, reversible, selective nociceptin receptor ORL-1 (ORL1) agonist that elicits anxiolytic-like effects in vivo.
Biochem/physiol Actions: Ro 64-6198 is a brain-penetrant, nonpeptidic, high-affinity (Ki = 0.389 nM against 0.1 nM OFQ for binding human ORL1) nociceptin/orphanin FQ (N/OFQ) receptor ORL-1 (KOR-3, NOP) agonist (EC50 = 38.9 nM by GTPγS binding assay; IC50 = 32.4 nM against forskolin-stimulated cellular cAMP accumulation) with >100-fold selectivity over other opioid receptor family members (Ki = 46.8 nM/μ, 89.1 nM/k, 1.38 μM/δ) and no significant affinity toward 48 other receptors and ion channels (IC50 >1 μM). Ro 64-6198 elicits ORL1-dependent anxiolytic-like effects in several rat models of spontaneous and conditioned anxiety states (0.3-3.2 mg/kg i.p) without antipanic, anticonvulsant, sedative, amnestic activity, or signs of tolerance to its anxiolytic-like effects following chronical dosing.
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity ≥98% (HPLC)
Storage Temp. 2-8°C
UNSPSC 12352200

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