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DETQ

CAT: 0013-GTR19221621-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221621-01Size:5 mg
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Description
DETQ is an orally bioavailable, allosteric potentiator that selectively enhances human dopamine D1 receptor signaling, increasing cAMP production with high potency (EC50 5.8 nM) . Its species-specific profile and selectivity over D5 make it a valuable research tool for studying D1 receptor function in neuropharmacology, including in vitro assays and in vivo behavioral models.
CAS Number
1638667-81-8
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C[C@@H]1N ([C@@H] (CO) Cc2c1cccc2C (C) (C) O) C (=O) Cc1c (Cl) cccc1Cl
Molecular Formula
C22H25Cl2NO3
Molecular Weight
422.34
Storage Conditions
-20°C
Notes
For research use only.

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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