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DETQ

CAT: 0804-HY-115553-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-115553-01Size:1 mg
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Description
DETQ is a selective, allosteric and orally active dopamine D1 receptor (Dopamine Receptor) potentiator. In HEK293 cells expressing the human D1 receptor, DETQ increases cAMP with an EC50 of 5.8 nM and a Kb of 26 nM. DETQ shows ~30-fold less potent at rat and mouse D1 receptors and is inactive at the human D5 receptor[1].
CAS Number
1638667-81-8
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Dopamine 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/detq.html
Solubility
10 mM in DMSO
Smiles
C[C@@H]1N(C(CC2=C(Cl)C=CC=C2Cl)=O)[C@@H](CO)CC3=C1C=CC=C3C(C)(O)C
Molecular Formula
C22H25Cl2NO3
Molecular Weight
422.34
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501
References & Citations
[1]Kjell A Svensson, et al. An Allosteric Potentiator of the Dopamine D1 Receptor Increases Locomotor Activity in Human D1 Knock-In Mice without Causing Stereotypy or Tachyphylaxis. J Pharmacol Exp Ther. 2017 Jan;360 (1) :117-128.|[2]Herbert Y Meltzer, et al. The allosteric dopamine D1 receptor potentiator, DETQ, ameliorates subchronic phencyclidine-induced object recognition memory deficits and enhances cortical acetylcholine efflux in male humanized D1 receptor knock-in mice. Behav Brain Res. 2019 Apr 1;361:139-150.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
D1 Receptor

Chemical Information

2-(2,6-dichlorophenyl)-1-[(1S,3R)-3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl]ethan-1-one
CAS Number1638667-81-8
PubChem CID117720272
IUPAC Name2-(2,6-dichlorophenyl)-1-[(1S,3R)-3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
Molecular FormulaC22H25Cl2NO3
Molecular Weight422.3
XLogP3.6
Topological Polar Surface Area60.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity548
SMILES
C[C@H]1C2=C(C[C@@H](N1C(=O)CC3=C(C=CC=C3Cl)Cl)CO)C(=CC=C2)C(C)(C)O
InChI
InChI=1S/C22H25Cl2NO3/c1-13-15-6-4-7-18(22(2,3)28)16(15)10-14(12-26)25(13)21(27)11-17-19(23)8-5-9-20(17)24/h4-9,13-14,26,28H,10-12H2,1-3H3/t13-,14+/m0/s1
InChIKey
CWRORBWPLQQFMX-UONOGXRCSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,6-dichlorophenyl)-1-[(1S,3R)-3-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-yl]ethan-1-one
CAS: 1638667-81-8
CID: 117720272
Formula: C22H25Cl2NO3
MW: 422.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.3
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass421.1211490
Monoisotopic Mass421.1211490
Topological Polar Surface Area60.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity548
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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