Ponesimod - Moligand™, 10mM in DMSO , Sphingosine 1-phosphate receptor Edg-1 agonist, CAS No.854107-55-4, Sphingosine 1-phosphate receptor Edg-1 agonist

CAS: 854107-55-4 Cat. No.: P426364 분자식: C23H25ClN2O4S 분자량: 460.974 EC 번호: 848-887-0 PubChem CID: 11363176
주문 가능
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
Synonyms
BP175283 | Ponesimod,ACT-128800 | 4-Thiazolidinone, 5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylene]-3-(2-methylphenyl)-2-(propylimino)-, (2Z,5Z)- | 5G7AKV2MKP | PONESIMOD [USAN] | STK374497 | AMY23424 | (2Z,5Z)-5-(3-Chloro-4-((R)-2,3-dihydroxy
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
USA
독일 (EU)*
Price
Qty
1ml
P426364-1ml
1 재고 있음
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US$58.90

US$69.90
저장 US$11.00 (15.74%)
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Why this grade

Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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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.

Specifications

동의어
BP175283 | Ponesimod,ACT-128800 | 4-Thiazolidinone, 5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylene]-3-(2-methylphenyl)-2-(propylimino)-, (2Z,5Z)- | 5G7AKV2MKP | PONESIMOD [USAN] | STK374497 | AMY23424 | (2Z,5Z)-5-(3-Chloro-4-((R)-2,3-dihydroxy
사양 및 순도
Moligand™, 10mM in DMSO
생화학 및 생리적 메커니즘
Ponesimod is a potent agonist of sphingosine-1-phophate receptor.\xa0(S1P 1 /EDG-1; IC 50 s = 6, >10,000, 2,068, 1,956, and 142 nM for S1P 1 -S1P 5 , respectively, in a radioligand binding assay). Selectively activates S1P 1 in a GTPγS assay (EC 50 s = 5.
보관 조건
Store at -80°C
배송
Dry ice packs + Cold packs
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등급
Moligand™
작업 유형
AGONIST
작동 메커니즘
Sphingosine 1-phosphate receptor Edg-1 agonist
제품 특성
ALogP4.6
이름과 식별자
Pubchem Sid528766787
정식 스마일CCCN=C1N(C(=O)C(=CC2=CC(=C(C=C2)OCC(CO)O)Cl)S1)C3=CC=CC=C3C
IUPAC Name(5Z)-5-[[3-chloro-4-[(2R)-2,3-dihydroxypropoxy]phenyl]methylidene]-3-(2-methylphenyl)-2-propylimino-1,3-thiazolidin-4-one
InChIKeyLPAUOXUZGSBGDU-ULCCENQXSA-N
INCHI1S/C23H25ClN2O4S/c1-3-10-25-23-26(19-7-5-4-6-15(19)2)22(29)21(31-23)12-16-8-9-20(18(24)11-16)30-14-17(28)13-27/h4-9,11-12,17,27-28H,3,10,13-14H2,1-2H3/b21-12-,25-23?/t17-/m1/s1
이성체 SMILES CCCN=C1N(C(=O)/C(=C/C2=CC(=C(C=C2)OC[C@@H](CO)O)Cl)/S1)C3=CC=CC=C3C
PubChem CID 11363176
분자량 460.974

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
분류Phenol ethers
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPhenol ethers
Alternative Parents Phenoxy compounds  Toluenes  Alkyl aryl ethers  Chlorobenzenes  Aryl chlorides  Thiazolidines  Secondary alcohols  1,2-diols  Isothioureas  Propargyl-type 1,3-dipolar organic compounds  Azacyclic compounds  Carboxylic acids and derivatives  Hydrocarbon derivatives  Carbonyl compounds  Organic oxides  Organochlorides  Organonitrogen compounds  Primary alcohols  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Thiazolidine - 1,2-diol - Isothiourea - Secondary alcohol - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Aromatic heteromonocyclic compound
설명This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
S1PR5 Tclin Sphingosine 1-phosphate receptor 5 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
S1PR4 Tclin Sphingosine 1-phosphate receptor 4 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
S1PR1 Tclin Sphingosine 1-phosphate receptor 1 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
S1PR3 Tclin Sphingosine 1-phosphate receptor 3 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
S1PR3 Tclin Sphingosine 1-phosphate receptor Edg-3 (2543 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Homo sapiens (32628 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
분자량461.000 g/mol
XLogP34.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass460.122 Da
Monoisotopic Mass460.122 Da
Topological Polar Surface Area108.000 Ų
Heavy Atom Count31
Formal Charge0
Complexity674.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
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리뷰

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