(+/-)-trans-U-50488 methanesulfonate salt , CAS No.83913-05-7

CAS: 83913-05-7 Cat. No.: T333270 Molecular Weight: 465.43 PubChem CID: 135349
AVAILABLE TO ORDER
Synonyms
SCHEMBL548872 | Opera_ID_588 | NCG-C00093883-01 | MLS000069740 | DTXSID301004058 | NCGC00016144-01 | SMR000058892 | MLS001076340 | Benzeneacetamide, 3,4-dichloro-N-methyl-N-[(1R,2R)-2-(1-pyrrolidinyl)cyclohexyl]-, methanesulfonate (1:1) | U-50488 methane
Storage
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
10mg
T333270-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$145.90
50mg
T333270-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$499.90
100mg
T333270-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$799.90
Enter a quantity for the sizes you want to add.
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C,Protected from light,Argon charged Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

A selective κ-opioid receptor agonist.

Specifications

Synonyms
SCHEMBL548872 | Opera_ID_588 | NCG-C00093883-01 | MLS000069740 | DTXSID301004058 | NCGC00016144-01 | SMR000058892 | MLS001076340 | Benzeneacetamide, 3, 4-dichloro-N-methyl-N-[(1R, 2R)-2-(1-pyrrolidinyl)cyclohexyl]-, methanesulfonate (1:1) | U-50488 methane
Biochemical and Physiological Mechanisms
Selective κ-opioid receptor agonist. (±)-trans-U-50488 methanesulfonate salt is known to induce diuresis. U-50488H is found to prevent morphine tolerance when administered along with it.
Storage
Store at 2-8°C, Protected from light, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Canonical SmilesCN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.CS(=O)(=O)O
IUPAC Name2-(3,4-dichlorophenyl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;methanesulfonic acid
InChIKeyOJPHNZCUXUUVKU-JAXOOIEVSA-N
INCHI1S/C19H26Cl2N2O.CH4O3S/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23;1-5(2,3)4/h8-9,12,17-18H,2-7,10-11,13H2,1H3;1H3,(H,2,3,4)/t17-,18-;/m1./s1
Isomeric SMILES CN([C@@H]1CCCC[C@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.CS(=O)(=O)O
PubChem CID 135349
Molecular Weight 465.43

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassPhenylacetamides
Intermediate Tree Nodes Not available
Direct ParentPhenylacetamides
Alternative Parents Dichlorobenzenes  Cyclohexylamines  Aryl chlorides  N-alkylpyrrolidines  Tertiary carboxylic acid amides  Sulfonyls  Organosulfonic acids  Alkanesulfonic acids  Methanesulfonates  Trialkylamines  Amino acids and derivatives  Azacyclic compounds  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organochlorides  Organopnictogen compounds  
Molecular FrameworkNot available
Substituents Phenylacetamide - 1,2-dichlorobenzene - Chlorobenzene - Cyclohexylamine - Halobenzene - Aryl chloride - Aryl halide - N-alkylpyrrolidine - Methanesulfonate - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary carboxylic acid amide - Alkanesulfonic acid - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organosulfur compound - Amine - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
OPRK1 Tclin Kappa-type opioid receptor (6 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRM1 Tclin Mu opioid receptor (19785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRD1 Tclin Delta opioid receptor (15096 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
OPRK1 Tclin Kappa opioid receptor (16155 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityH2O: 50 mg/mL
SensitivityMoisture sensitive
Molecular Weight465.400 g/mol
XLogP3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass464.13 Da
Monoisotopic Mass464.13 Da
Topological Polar Surface Area86.300 Ų
Heavy Atom Count29
Formal Charge0
Complexity520.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Solution Calculators
Reviews

Customer Reviews

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