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(Rac) -AMG 628

CAT: 0804-HY-123374Size: 1 EachDry Ice: NoHazardous: No
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Description
(Rac) -AMG 628 is the racemate of AMG 628, a potent TRPV1 antagonist with an IC50 of 3.7nM. AMG 628 can be used in chronic pain research[1].
CAS Number
862269-73-6
UNSPSC
12352005
Target
TRP Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/rac-amg-628.html
Smiles
CC(NC1=NC2=C(OC3=NC=NC(N4CCN(C(C5=CC=C(F)C=C5)C)CC4)=C3)C=CC=C2S1)=O
Molecular Formula
C25H25FN6O2S
Molecular Weight
492.57
References & Citations
[1]Thiel OR, et al. Practical synthesis of a vanilloid receptor-1 antagonist. J Org Chem. 2008 May 2;73 (9) :3508-15.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Amg-628
CAS Number862269-73-6
PubChem CID11329359
IUPAC NameN-[4-[6-[4-[1-(4-fluorophenyl)ethyl]piperazin-1-yl]pyrimidin-4-yl]oxy-1,3-benzothiazol-2-yl]acetamide
Molecular FormulaC25H25FN6O2S
Molecular Weight492.6
XLogP4.3
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity705
SMILES
CC(C1=CC=C(C=C1)F)N2CCN(CC2)C3=CC(=NC=N3)OC4=C5C(=CC=C4)SC(=N5)NC(=O)C
InChI
InChI=1S/C25H25FN6O2S/c1-16(18-6-8-19(26)9-7-18)31-10-12-32(13-11-31)22-14-23(28-15-27-22)34-20-4-3-5-21-24(20)30-25(35-21)29-17(2)33/h3-9,14-16H,10-13H2,1-2H3,(H,29,30,33)
InChIKey
QUHZTEMPQQZPNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amg-628
CAS: 862269-73-6
CID: 11329359
Formula: C25H25FN6O2S
MW: 492.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.6
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass492.17437340
Monoisotopic Mass492.17437340
Topological Polar Surface Area112 Ų
Heavy Atom Count35
Formal Charge0
Complexity705
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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