Name: DREADD Agonist 21 dihydrochloride
Brand: SIGMA

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About This Item

Empirical Formula (Hill Notation):

C₁₇H₁₈N₄ · 2HCl

CAS Number:

56296-18-5

Molecular Weight:

351.27

MDL number:

MFCD25121806

UNSPSC Code:

12352200

NACRES:

NA.77

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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

Related Categories

Bioactive Small Molecules

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).

Pictograms

GHS07

Signal Word

Warning

Hazard Statements

H302

Precautionary Statements

P264 - P270 - P301 + P312 - P501

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number

0000467098

0000415314

0000399394

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