SML2392

DREADD Agonist 21 dihydrochloride

≥98% (HPLC), powder, DREADD agonist

• Synonym(s): 11-(1-piperazinyl)-5H-Dibenzo[b,e][1,4]diazepine dihydrochloride, 11-(Piperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine; 11-Piperazinyldibenzo[b,e][1,4]diazepine dihydrochloride, Compound 21 dihydrochloride
• Empirical Formula (Hill Notation): C₁₇H₁₈N₄ · 2HCl
• CAS Number: 56296-18-5
• Molecular Weight: 351.27
• MDL number: MFCD25121806
• UNSPSC Code: 12352200
• NACRES: NA.77

Properties

• Product Name: DREADD Agonist 21 dihydrochloride, ≥98% (HPLC)
• assay: ≥98% (HPLC)
• form: powder
• storage condition: desiccated
• color: yellow to brown
• solubility: H₂O: 2 mg/mL, clear
• storage temp.: −20°C
• SMILES string: C1(C=CC=C2)=C2C(N3CCNCC3)=NC(C=CC=C4)=C4N1
• InChI: 1S/C17H18N4/c1-2-6-14-13(5-1)17(21-11-9-18-10-12-21)20-16-8-4-3-7-15(16)19-14/h1-8,18-19H,9-12H2
• InChI key: JCBYXNSOLUVGTF-UHFFFAOYSA-N

Description

Biochem/physiol Actions

Compound 21 is a potent designer drug with full agonist activity toward human hM3Dq (EC50 = 1.7 nM by cell-based Ca2+ mobilization assay), a human M3 muscarinic receptor (M3R)-based Gq (M3Dq) DREADD (Designer Receptors Exclusively Activated by Designer Drugs), displaying little activity toward muscarinic acetylcholine receptor M3 (30% M3 activation at 10 μM) and reduced affinity toward H1, 5HT2A, 5HT2C, α1A receptor (fold selectivity = 3.5, 40, 100, 165, respectively). Note: the DREADD hM3Dq exhibits M3 biological activity, but is insensitive to the endogenous ligand acetylcholine (ACh).

Potent designer drug with selective agonist activity for human M3Dq (hM3Dq) DREADD (Designer Receptors Exclusively Activated by Designer Drugs).

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302
• pcodes: P264 - P270 - P301 + P312 - P501
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable