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AM11542

CAT: 0013-GTR19273008-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19273008-01Size:10 mg
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Description
AM11542 acts as an orthosteric agonist of the cannabinoid receptor 1 (CB1), exhibiting a binding affinity with a Ki of 0.11 nM. It is useful in the investigation of CB1 receptor activation and its associated allosteric modulation mechanisms.
CAS Number
152674-95-8
Smiles
OC1=C2[C@]3 ([C@] (C (C) (C) OC2=CC (C (CCCCCCBr) (C) C) =C1) (CC=C (C) C3) [H]) [H]
Molecular Formula
C25H37BrO2
Molecular Weight
449.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

AM-11542

a CB1 cannabinoid receptor agonist; structure in first source

CAS Number152674-95-8
PubChem CID53318931
IUPAC Name(6aR,10aR)-3-(8-bromo-2-methyloctan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
Molecular FormulaC25H37BrO2
Molecular Weight449.5
XLogP7.5
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity553
SMILES
CC1=CC[C@@H]2[C@@H](C1)C3=C(C=C(C=C3OC2(C)C)C(C)(C)CCCCCCBr)O
InChI
InChI=1S/C25H37BrO2/c1-17-10-11-20-19(14-17)23-21(27)15-18(16-22(23)28-25(20,4)5)24(2,3)12-8-6-7-9-13-26/h10,15-16,19-20,27H,6-9,11-14H2,1-5H3/t19-,20-/m1/s1
InChIKey
SZDVFUZKFPGYEK-WOJBJXKFSA-N
Chemical Structure
2D Structure
2D structure of AM-11542
CAS: 152674-95-8
CID: 53318931
Formula: C25H37BrO2
MW: 449.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.5
XLogP37.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass448.19769
Monoisotopic Mass448.19769
Topological Polar Surface Area29.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity553
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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