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Olorinab

CAT: 0931-T14302-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T14302-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1268881-20-4
Target
Cannabinoid Receptor
Related Pathways
GPCR/G Protein
Purity
0.9847
Bioactivity
Olorinab (APD 371) (APD 371) is a highly potent, selective and fully efficacious cannabinoid receptor type 2 (CB2) agonist. With an EC50 of 6.2 nM for hCB2.
Smiles
CC(C)(C)[C@@H](CO)NC(C1=NN(C2=NC=C[N+]([O-])=C2)C3=C1C[C@@]4([H])[C@]3([H])C4)=O
Molecular Formula
C18H23N5O3
Molecular Weight
357.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Olorinab

Olorinab is under investigation in clinical trial NCT03155945 (Tolerability, Pharmacokinetics, and Efficacy of APD371 in Subjects With Crohn's Disease Experiencing Abdominal Pain).

CAS Number1268881-20-4
PubChem CID60164925
IUPAC Name(2S,4S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-9-(4-oxidopyrazin-4-ium-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
Molecular FormulaC18H23N5O3
Molecular Weight357.4
XLogP0.3
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity553
SMILES
CC(C)(C)[C@@H](CO)NC(=O)C1=NN(C2=C1C[C@H]3[C@@H]2C3)C4=NC=C[N+](=C4)[O-]
InChI
InChI=1S/C18H23N5O3/c1-18(2,3)13(9-24)20-17(25)15-12-7-10-6-11(10)16(12)23(21-15)14-8-22(26)5-4-19-14/h4-5,8,10-11,13,24H,6-7,9H2,1-3H3,(H,20,25)/t10-,11-,13+/m0/s1
InChIKey
ACSQLTBPYZSGBA-GMXVVIOVSA-N
Chemical Structure
2D Structure
2D structure of Olorinab
CAS: 1268881-20-4
CID: 60164925
Formula: C18H23N5O3
MW: 357.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass357.18008961
Monoisotopic Mass357.18008961
Topological Polar Surface Area106 Ų
Heavy Atom Count26
Formal Charge0
Complexity553
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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MBS5754523Olorinab
A19476-10Olorinab 10mg
A19476-25Olorinab 25mg
A19476-5Olorinab 5mg
A19476-100Olorinab 100mg
A19476-50Olorinab 50mg
A19476-1Olorinab 1mg

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