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O-2050

CAT: 0931-T23099-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T23099-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1883545-42-3
Target
Others, Cannabinoid Receptor
Related Pathways
Others, GPCR/G Protein
Bioactivity
O-2050 is a high-affinity cannabinoid CB1 receptor antagonist with a Ki of 2.5 nM and inhibits the cannabinoid CB2 receptor with a Ki of 0.2 nM. O-2050 decreased food intake and stimulated locomotion in mice [1].
Smiles
OC1=C2[C@]3([C@](C(C)(C)OC2=CC(CC#CCCCNS(C)(=O)=O)=C1)(CC=C(C)C3)[H])[H]
Molecular Formula
C23H31NO4S
Molecular Weight
417.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

O-2050

N-[6-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c][1]benzopyran-3-yl]hex-4-ynyl]methanesulfonamide is a 1-benzopyran.

CAS Number1883545-42-3
PubChem CID16102146
IUPAC NameN-[6-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-yl]hex-4-ynyl]methanesulfonamide
Molecular FormulaC23H31NO4S
Molecular Weight417.6
XLogP3.7
Topological Polar Surface Area84
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity783
SMILES
CC1=CC[C@@H]2[C@@H](C1)C3=C(C=C(C=C3OC2(C)C)CC#CCCCNS(=O)(=O)C)O
InChI
InChI=1S/C23H31NO4S/c1-16-10-11-19-18(13-16)22-20(25)14-17(15-21(22)28-23(19,2)3)9-7-5-6-8-12-24-29(4,26)27/h10,14-15,18-19,24-25H,6,8-9,11-13H2,1-4H3/t18-,19-/m1/s1
InChIKey
DJTGGIYZQHHLGJ-RTBURBONSA-N
Chemical Structure
2D Structure
2D structure of O-2050
CAS: 1883545-42-3
CID: 16102146
Formula: C23H31NO4S
MW: 417.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.6
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass417.19737964
Monoisotopic Mass417.19737964
Topological Polar Surface Area84 Ų
Heavy Atom Count29
Formal Charge0
Complexity783
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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