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DBPR116

CAT: 0931-T203506-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T203506-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2131200-75-2
Target
Opioid Receptor
Related Pathways
Neuroscience, GPCR/G Protein, Endocrinology/Hormones
Bioactivity
DBPR116 is a prodrug of BPRMU191 that can penetrate the blood-brain barrier. It significantly enhances the delivery efficiency of drugs targeting the central nervous system. When combined with the antagonist Naltrexone, DBPR116 demonstrates superior safety and analgesic effects compared to morphine in various in vivo pharmacological studies, including thermal pain models, cancer pain models, constipation, sedation, psychological dependence, heart rate, and respiratory frequency. As a strategy for peripheral administration, DBPR116 effectively alleviates pain while reducing adverse effects, showing promise as a safer opioid analgesic.
Smiles
O=C(OCC)C1=CC=C(C(=C1)C)N2C(=O)CSC2C3=CC=C(F)C=C3
Molecular Formula
C19H18FNO3S
Molecular Weight
359.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[(3, 5-Dimethyl-1, 2-oxazol-4-yl)sulfonyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide
CAS Number2131200-75-2
PubChem CID130385968
IUPAC Nameethyl 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
Molecular FormulaC19H18FNO3S
Molecular Weight359.4
XLogP4
Topological Polar Surface Area71.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity495
SMILES
CCOC(=O)C1=CC(=C(C=C1)N2C(SCC2=O)C3=CC=C(C=C3)F)C
InChI
InChI=1S/C19H18FNO3S/c1-3-24-19(23)14-6-9-16(12(2)10-14)21-17(22)11-25-18(21)13-4-7-15(20)8-5-13/h4-10,18H,3,11H2,1-2H3
InChIKey
JTGBBCJODUNDMP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[(3, 5-Dimethyl-1, 2-oxazol-4-yl)sulfonyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide
CAS: 2131200-75-2
CID: 130385968
Formula: C19H18FNO3S
MW: 359.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.4
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass359.09914277
Monoisotopic Mass359.09914277
Topological Polar Surface Area71.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity495
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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