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259869-55-1

259869-55-1 Structure

259869-55-1 Structure
IdentificationBack Directory
[Name]

(6AR,10AR)-3-(1,1-DIMETHYLBUTYL)-6A,7,10,10A-TETRAHYDRO-6,6,9-TRIMETHYL-6H-DIBENZO[B,D]PYRAN
[CAS]

259869-55-1
[Synonyms]

JW 133
CS-317
JWH 133
JWH 133, >=98%
JWH 133 (in Tocrisolve 100)
JWH 133 (in Tocrisolve(TM) 100)
JW 133 (10 mg/mL in Methyl Acetate)
3-(1,1-Dimethylbutyl)-1-deoxy-Δ8-THC
3-(1,1-Dimethylbutyl)-1-deoxy-Δ8-tetrahydrocannabinol
(6aR,10aR)-6,6,9-trimethyl-3-(2-methylpentan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene
(6AR,10AR)-3-(1,1-DIMETHYLBUTYL)-6A,7,10,10A-TETRAHYDRO-6,6,9-TRIMETHYL-6H-DIBENZO[B,D]PYRAN
3-(1,1-Dimethylbutyl)-1-deoxy-Δ8-THC, 3-(1,1-Dimethylbutyl)-1-deoxy-Δ8-tetrahydrocannabinol
(6aR,10aR)-6,6,9-trimethyl-3-(2-methylpentan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene
(6aR,10aR)-3-(1,1-Dimethylbutyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-(6H)-dibenzo[b.d]pyrane
6H-Dibenzo[b,d]pyran, 3-(1,1-diMethylbutyl)-6a,7,10,10a-tetrahydro-6,6,9-triMethyl-, (6aR,10aR)-
[Molecular Formula]

C22H32O
[MDL Number]

MFCD06795847
[MOL File]

259869-55-1.mol
[Molecular Weight]

312.49
Chemical PropertiesBack Directory
[Boiling point ]

382.0±42.0 °C(Predicted)
[density ]

0.950±0.06 g/cm3(Predicted)
[storage temp. ]

−20°C
[solubility ]

Chloroform, Ethyl Acetate
[form ]

Oil
[color ]

Clear Colorless
[InChI]

1S/C22H32O/c1-7-12-21(3,4)16-9-10-17-18-13-15(2)8-11-19(18)22(5,6)23-20(17)14-16/h8-10,14,18-19H,7,11-13H2,1-6H3/t18-,19+/m0/s1
[InChIKey]

YSBFLLZNALVODA-RBUKOAKNSA-N
[SMILES]

[H][C@@]1(CC(C)=CC2)[C@@]2(C(C)(OC3=C1C=CC(C(C)(CCC)C)=C3)C)[H]
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

JW 133 is an intermediate used to synthesize potent CB2-Selective Cannabinoid Receptor Ligands such as 4-oxo-1,4-dihydroquinoline-3-carboxamides and 3-(1'',1''-Dimethylbutyl)-1-deoxy-Δ8-THC analogs.
[Definition]

ChEBI: JWH-133 is a dibenzopyran that is Delta(9)-tetrahydrocannabinol which is lacking the hydroxy group and in which the pentyl group at position 3 has been replaced by a 1,1-dimethylbutyl group. A potent and highly selective CB2 receptor agonist. It has a role as a CB2 receptor agonist, an antineoplastic agent, a vasodilator agent, an anti-inflammatory agent, an apoptosis inhibitor, an analgesic and an opioid analgesic. It is a dibenzopyran, an organic heterotricyclic compound and a benzochromene.
[Biological Activity]

Potent CB 2 selective agonist (K i = 3.4 nM). Approx. 200-fold selective over CB 1 receptors. Active in vivo , reducing spasticity in a murine model of multiple sclerosis. Also available in water soluble emulsion ((6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran ).
[storage]

Store at -20°C
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