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VU6021625

CAT: 0013-GTR19234835-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234835-02Size:50 mg
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Description
VU6021625 is a potent and selective muscarinic acetylcholine receptor M4 antagonist, exhibiting high affinity for human (IC50 = 0.44 nM) and rat (IC50 = 57 nM) receptors. It is a valuable research tool for investigating M4 receptor function in neuropharmacology, applicable in both in vitro binding assays and in vivo behavioral studies.
CAS Number
2803696-99-1
Field of Research
Neuroscience
Smiles
N ([C@@H]1C[C@@]2 ([C@] (C1) (CN (CC3CCOCC3) C2) [H]) [H]) C4=CC=C (N=N4) C5=CC=6C (C=C5) =NN (C) C6
Molecular Formula
C25H32N6O
Molecular Weight
432.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

rel-VU6021625
CAS Number2803696-99-1
PubChem CID156493833
IUPAC Name(3aR,6aS)-N-[6-(2-methylindazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
Molecular FormulaC25H32N6O
Molecular Weight432.6
XLogP3
Topological Polar Surface Area68.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity616
SMILES
CN1C=C2C=C(C=CC2=N1)C3=NN=C(C=C3)NC4C[C@@H]5CN(C[C@@H]5C4)CC6CCOCC6
InChI
InChI=1S/C25H32N6O/c1-30-14-21-10-18(2-3-24(21)29-30)23-4-5-25(28-27-23)26-22-11-19-15-31(16-20(19)12-22)13-17-6-8-32-9-7-17/h2-5,10,14,17,19-20,22H,6-9,11-13,15-16H2,1H3,(H,26,28)/t19-,20+,22?
InChIKey
YGZMGSNKRRWPDT-RLAPIPATSA-N
Chemical Structure
2D Structure
2D structure of rel-VU6021625
CAS: 2803696-99-1
CID: 156493833
Formula: C25H32N6O
MW: 432.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.6
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass432.26375967
Monoisotopic Mass432.26375967
Topological Polar Surface Area68.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity616
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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CatalogName
HY-160440AVU6021625
HY-160440-01Rel-VU6021625

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