Products for Research Use Only

SCH-336

CAT: 0013-GTR19199665-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199665-04Size:25 mg
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Description
SCH-336 is a potent, selective, and orally active CB2 receptor agonist (Ki 1.8 nM) with 100-fold selectivity over CB1. It demonstrates functional activity by inhibiting GTPγS binding, CB2-mediated cell migration in vitro, and attenuating leukocyte migration and pulmonary eosinophilia in murine models of delayed hypersensitivity and allergy.
CAS Number
447459-51-0
Product Name Alternative
CB2, CannabinoidReceptor, Cannabinoid Receptor, SCH-225336, SCH 336, SCH336, SCH-336
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Purity
95.01% (May vary between batches)
Solubility
DMSO:90 mg/mL (166.78 mM)
Smiles
S (=O) (=O) (C1=C (S (=O) (=O) C2=CC=C (OC) C=C2) C=C (OC) C=C1) C3=CC=C ([C@@H] (NS (C) (=O) =O) C) C=C3
Molecular Formula
C23H25NO8S3
Molecular Weight
539.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[(1S)-1-[4-[[4-Methoxy-2-[(4-methoxyphenyl)sulfonyl]phenyl]sulfonyl]phenyl]ethyl]methanesulfonamide
CAS Number447459-51-0
PubChem CID10324989
IUPAC NameN-[(1S)-1-[4-[4-methoxy-2-(4-methoxyphenyl)sulfonylphenyl]sulfonylphenyl]ethyl]methanesulfonamide
Molecular FormulaC23H25NO8S3
Molecular Weight539.6
XLogP2.8
Topological Polar Surface Area158
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity994
SMILES
C[C@@H](C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)OC)NS(=O)(=O)C
InChI
InChI=1S/C23H25NO8S3/c1-16(24-33(4,25)26)17-5-10-20(11-6-17)34(27,28)22-14-9-19(32-3)15-23(22)35(29,30)21-12-7-18(31-2)8-13-21/h5-16,24H,1-4H3/t16-/m0/s1
InChIKey
NXODIUKWAVUFGF-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of N-[(1S)-1-[4-[[4-Methoxy-2-[(4-methoxyphenyl)sulfonyl]phenyl]sulfonyl]phenyl]ethyl]methanesulfonamide
CAS: 447459-51-0
CID: 10324989
Formula: C23H25NO8S3
MW: 539.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight539.6
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass539.07423028
Monoisotopic Mass539.07423028
Topological Polar Surface Area158 Ų
Heavy Atom Count35
Formal Charge0
Complexity994
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes