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GPR17 antagonist 1

CAT: 0804-HY-170589-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-170589-01Size:1 mg
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Description
GPR17 antagonist 1 (compound 978) is a GPR17 antagonist. GPR17 antagonist 1 can be used in the study of diabetes and obesity[1].
CAS Number
1574405-61-0
UNSPSC
12352005
Target
Transmembrane Glycoprotein
Related Pathways
Immunology/Inflammation
Field of Research
Neurological Disease
Purity
98.95
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=C(C(OC)=C1)OC)NC2C3=C(CCC2)C4=C(C(Cl)=CC=C4)N3
Molecular Formula
C21H21ClN2O3
Molecular Weight
384.86
References & Citations
[1]Zhu H, et al. Discovery of Novel and Selective GPR17 Antagonists as Pharmacological Tools for Developing New Therapeutic Strategies in Diabetes and Obesity[J]. bioRxiv, 2024: 2024.12. 04.626849.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3,4-dimethoxybenzamide
CAS Number1574405-61-0
PubChem CID71829149
IUPAC NameN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3,4-dimethoxybenzamide
Molecular FormulaC21H21ClN2O3
Molecular Weight384.9
XLogP4.2
Topological Polar Surface Area63.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity534
SMILES
COC1=C(C=C(C=C1)C(=O)NC2CCCC3=C2NC4=C3C=CC=C4Cl)OC
InChI
InChI=1S/C21H21ClN2O3/c1-26-17-10-9-12(11-18(17)27-2)21(25)23-16-8-4-6-14-13-5-3-7-15(22)19(13)24-20(14)16/h3,5,7,9-11,16,24H,4,6,8H2,1-2H3,(H,23,25)
InChIKey
KWIDNVMRGUQRHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3,4-dimethoxybenzamide
CAS: 1574405-61-0
CID: 71829149
Formula: C21H21ClN2O3
MW: 384.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.9
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass384.1240702
Monoisotopic Mass384.1240702
Topological Polar Surface Area63.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity534
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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