Name: (-)-U-50488 hydrochloride - ≥99%(HPLC) , CAS No.114528-79-9
SKU: U287110
Availability: InStock

(-)-U-50488 hydrochloride - ≥99%(HPLC) , CAS No.114528-79-9

CAS: 114528-79-9 Cat. No.: U287110 분자식: C₁₉H₂₆Cl₂N₂O · HCl · xH2O 분자량: 405.79 (anhydrous basis) PubChem CID: 9931141

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(-)-U-50488 hydrochloride - ≥99%(HPLC) CAS No(114528-79-9) by Aladdin Scientific

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주문 가능

GRADE & PURITY ≥99%(HPLC)

Synonyms

trans-(1S,2S)-3,4-Dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzeneacetamide hydrochloride hydrate | (−)-trans-(1S,2S)-U-50488 hydrochloride hydrate

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

개요 Specifications 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

🧪

Why this grade

≥99%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Store at -20°C,Desiccated Ships Ice chest + Ice pads 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.

개요

(-)-U-50488 hydrochloride ((-)-Trans-(1S,2S)-U-50488 hydrochloride) is a selective kappa-opioid receptor (KOR) agonist (b>Kd=2.2 nM) over μ-opioid receptor (MOR) (b>Kd=430 nM). (-)-U-50488 hydrochloride is a more active enantiomer than (+) trans-(1R,2R) U-50488 (HY-15997A) or the (±) trans-racemic mixture U-50488 (HY-15997B). (-)-U-50488 hydrochloride has a potent and sustained anti-HIV effect in fected blood monocyte-derived macrophages (MDM).

Specifications

동의어

trans-(1S,2S)-3,4-Dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzeneacetamide hydrochloride hydrate | (−)-trans-(1S,2S)-U-50488 hydrochloride hydrate

사양 및 순도

≥99%(HPLC)

생화학 및 생리적 메커니즘

More active enantiomer of(±)-U-50488.Racemateand(+)-enantiomeralso available.

보관 조건

Protected from light,Store at -20°C,Desiccated

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

순수함

≥99%(HPLC)

이름과 식별자

Pubchem Sid	528752713
정식 스마일	CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.Cl
IUPAC Name	2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
InChIKey	KGMMGVIYOHGOKQ-APTPAJQOSA-N
INCHI	1S/C19H26Cl2N2O.ClH/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;/h8-9,12,17-18H,2-7,10-11,13H2,1H3;1H/t17-,18-;/m0./s1
이성체 SMILES	CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.Cl
PubChem CID	9931141
분자량	405.79 (anhydrous basis)

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

Kingdom Organic compounds
- Superclass Benzenoids
  - 분류 Benzene and substituted derivatives
    - Subclass Phenylacetamides

Kingdom	Organic compounds
Superclass	Benzenoids
분류	Benzene and substituted derivatives
Subclass	Phenylacetamides
Intermediate Tree Nodes	Not available
Direct Parent	Phenylacetamides
Alternative Parents	Dichlorobenzenes Cyclohexylamines N-alkylpyrrolidines Aryl chlorides Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylacetamide - 1,2-dichlorobenzene - Chlorobenzene - Cyclohexylamine - Halobenzene - Aryl chloride - Aryl halide - N-alkylpyrrolidine - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Hydrochloride - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
설명	This compound belongs to the class of organic compounds known as phenylacetamides. These are amide derivatives of phenylacetic acids.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D 구조

관련 대상(비인간)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

nfo Endonuclease 4 (425 Activities)

Discover Target: nfo

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

인증서(CoA, COO, BSE/TSE 및 분석 차트)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	날짜	항목
J2421761	Certificate of Analysis	Jul 01, 2024	U287110
J2421762	Certificate of Analysis	Jul 01, 2024	U287110
J2421763	Certificate of Analysis	Jul 01, 2024	U287110
J2421764	Certificate of Analysis	Jul 01, 2024	U287110
J2421765	Certificate of Analysis	Jul 01, 2024	U287110
J2421766	Certificate of Analysis	Jul 01, 2024	U287110
J2421767	Certificate of Analysis	Jul 01, 2024	U287110
J2421778	Certificate of Analysis	Jul 01, 2024	U287110

화학 및 물리적 특성

용해성	Solvent:water, Max Conc. mg/mL: None, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 40.58, Max Conc. mM: 100
감도	Moisture sensitive，Light sensitive
분자량	405.800 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	404.119 Da
Monoisotopic Mass	404.119 Da
Topological Polar Surface Area	23.600 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	428.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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