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H3R antagonist 6

CAT: 0013-GTR19264654-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264654-01Size:50 mg
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Description
H3R antagonist 6 (Compounds 3) (H3-2406) is a histamine receptor 3 (H3R) antagonist with an IC50 of 5.6 nM. The 18F-labeled version exhibits high radiochemical yield, molar activity, and moderate brain uptake, although it shows off-target binding with the Sigma-1 receptor. It serves as a radioligand for positron emission tomography (PET) imaging in the study of central nervous system (CNS) diseases.
CAS Number
2183338-59-0
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Smiles
O=C (N1CCN (CC1) C2CCCC2) C3CC3C4=CC=C (F) C=C4
Molecular Formula
C19H25FN2O
Molecular Weight
316.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(4-Cyclopentylpiperazin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone
CAS Number2183338-59-0
PubChem CID134020776
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone
Molecular FormulaC19H25FN2O
Molecular Weight316.4
XLogP2.8
Topological Polar Surface Area23.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity421
SMILES
C1CCC(C1)N2CCN(CC2)C(=O)C3CC3C4=CC=C(C=C4)F
InChI
InChI=1S/C19H25FN2O/c20-15-7-5-14(6-8-15)17-13-18(17)19(23)22-11-9-21(10-12-22)16-3-1-2-4-16/h5-8,16-18H,1-4,9-13H2
InChIKey
UDZXLMPZOYUUJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Cyclopentylpiperazin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone
CAS: 2183338-59-0
CID: 134020776
Formula: C19H25FN2O
MW: 316.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.4
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass316.19509159
Monoisotopic Mass316.19509159
Topological Polar Surface Area23.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity421
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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