Products for Research Use Only

MK-9470

CAT: 0013-GTR19193496-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193496-03Size:100 mg
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Description
MK-9470 is a fluorine-18 labeled, selective, high-affinity CB1 receptor inverse agonist used as a PET radiotracer. It enables non-invasive imaging and quantification of cerebral cannabinoid CB1 receptors in vivo for neurological and psychiatric disorder research.
CAS Number
947371-30-4
Smiles
[C@@H] (CC1=CC=C (OCCF) C=C1) ([C@@H] (NC (C (OC2=CC=C (C) C=N2) (C) C) =O) C) C3=CC (C#N) =CC=C3
Molecular Formula
C29H32FN3O3
Molecular Weight
489.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MK-9470

Radiopharmaceutical; for gender-dependent increases with healthy aging of the human cerebral cannabinoid-type 1 receptor binding PET

CAS Number947371-30-4
PubChem CID11488705
IUPAC NameN-[(2S,3S)-3-(3-cyanophenyl)-4-[4-(2-fluoroethoxy)phenyl]butan-2-yl]-2-methyl-2-[(5-methyl-2-pyridinyl)oxy]propanamide
Molecular FormulaC29H32FN3O3
Molecular Weight489.6
XLogP5.6
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count36
Formal Charge0
Complexity731
SMILES
CC1=CN=C(C=C1)OC(C)(C)C(=O)N[C@@H](C)[C@@H](CC2=CC=C(C=C2)OCCF)C3=CC=CC(=C3)C#N
InChI
InChI=1S/C29H32FN3O3/c1-20-8-13-27(32-19-20)36-29(3,4)28(34)33-21(2)26(24-7-5-6-23(16-24)18-31)17-22-9-11-25(12-10-22)35-15-14-30/h5-13,16,19,21,26H,14-15,17H2,1-4H3,(H,33,34)/t21-,26+/m0/s1
InChIKey
XIYPJXKEMLKFMD-HFZDXXHNSA-N
Chemical Structure
2D Structure
2D structure of MK-9470
CAS: 947371-30-4
CID: 11488705
Formula: C29H32FN3O3
MW: 489.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight489.6
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass489.24277005
Monoisotopic Mass489.24277005
Topological Polar Surface Area84.2 Ų
Heavy Atom Count36
Formal Charge0
Complexity731
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