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Monlunabant

CAT: 1568-C01902-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C01902-01Size:5 mg
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CAS Number
2712480-46-9
Synonyms
INV-202, (S) -MRI-1891
SKU
C01902-5mg
Target
Cannabinoid Receptor
Applications
Neuronal Signaling
Additionnal Information
Monlunabant (INV-202, (S) -MRI-1891) is a peripherally acting inverse agonist of the cannabinoid type-1 receptor (CB1R), with the potential to treat respiratory and renal complications associated with metabolic disorders. It improves lung compliance in a mouse model of asthma and reduces renal fibrosis in a streptozotocin-induced diabetic nephropathy mouse model.

Chemical Information

Monlunabant

Monlunabant is a small molecule drug. The usage of the INN stem '-nabant' in the name indicates that Monlunabant is a cannabinoid receptor antagonist. Monlunabant is under investigation in clinical trial NCT06542536 (A Research Study Investigating Safety and Concentration in the Blood After One Dose Tablet of the New Medicine Monlunabant in Healthy Weight Japanese and Caucasian Men). Monlunabant has a monoisotopic molecular weight of 590.11 Da.

CAS Number2712480-46-9
PubChem CID156861524
IUPAC NameN-[(E)-N'-[(E)-C-[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylcarbonimidoyl]carbamimidoyl]acetamide
Molecular FormulaC26H22ClF3N6O3S
Molecular Weight591.0
XLogP5.4
Topological Polar Surface Area138
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity1100
SMILES
CC(=O)N/C(=N/C(=N\S(=O)(=O)C1=CC=C(C=C1)C(F)(F)F)/N2C[C@@H](C(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)/N
InChI
InChI=1S/C26H22ClF3N6O3S/c1-16(37)32-24(31)33-25(35-40(38,39)21-13-9-19(10-14-21)26(28,29)30)36-15-22(17-5-3-2-4-6-17)23(34-36)18-7-11-20(27)12-8-18/h2-14,22H,15H2,1H3,(H3,31,32,33,35,37)/t22-/m1/s1
InChIKey
GYJPQNPVIJXXTA-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of Monlunabant
CAS: 2712480-46-9
CID: 156861524
Formula: C26H22ClF3N6O3S
MW: 591.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight591.0
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass590.1114719
Monoisotopic Mass590.1114719
Topological Polar Surface Area138 Ų
Heavy Atom Count40
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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