E 2012 - Moligand™, ≥98%(HPLC) , CAS No.870843-42-8

CAS: 870843-42-8 Cat. No.: E288274 분자식: C25H26FN3O2 분자량: 419.49
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. ≥98%(HPLC)
Synonyms
(3e)-1-[(1s)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methyl-1h-imidazol-1-yl)phenyl]methylene]-2-piperidinone | FT-0613502 | 2-Piperidinone, 1-((1S)-1-(4-fluorophenyl)ethyl)-3-((3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)methylene)-, (3E)- | A89809
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
독일 (EU)*
Price
Qty
5mg
E288274-5mg
3 재고 있음
—

US$91.90

US$137.90
저장 US$46.00 (33.36%)
10mg
E288274-10mg
2 재고 있음
—

US$154.90

US$232.90
저장 US$78.00 (33.49%)
25mg
E288274-25mg
2 재고 있음
—

US$308.90

US$463.90
저장 US$155.00 (33.41%)
50mg
E288274-50mg
1 재고 있음
—

US$524.90

US$787.90
저장 US$263.00 (33.38%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

Moligand™, ≥98%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C 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.

Specifications

동의어
(3e)-1-[(1s)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methyl-1h-imidazol-1-yl)phenyl]methylene]-2-piperidinone | FT-0613502 | 2-Piperidinone, 1-((1S)-1-(4-fluorophenyl)ethyl)-3-((3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)methylene)-, (3E)- | A89809
사양 및 순도
Moligand™, ≥98%(HPLC)
생화학 및 생리적 메커니즘
γ-secretase modulator. Lowers Aβ40 and Aβ42 levels and increases Aβ37 levels,in vitroandin vivo. Displays no effect on γ-secretase processing of Notch, EphA4 and EphB2.
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
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등급
Moligand™
작업 유형
MODULATOR
순수함
≥98%(HPLC)
이름과 식별자
Pubchem Sid
정식 스마일
CC1=CN(C=N1)C2=C(C=C(C=C2)C=C3CCCN(C3=O)C(C)C4=CC=C(C=C4)F)OC
IUPAC Name
(3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one
InChIKey
PUOAETJYKQITMO-LANLRWRYSA-N
INCHI
1S/C25H26FN3O2/c1-17-15-28(16-27-17)23-11-6-19(14-24(23)31-3)13-21-5-4-12-29(25(21)30)18(2)20-7-9-22(26)10-8-20/h6-11,13-16,18H,4-5,12H2,1-3H3/b21-13+/t18-/m0/s1
이성체 SMILES
CC1=CN(C=N1)C2=C(C=C(C=C2)/C=C/3\CCCN(C3=O)[C@@H](C)C4=CC=C(C=C4)F)OC
분자량
419.49
Reaxy-Rn
19778842
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19778842&ln=

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
SuperclassOrganoheterocyclic compounds
분류Azoles
SubclassImidazoles
Intermediate Tree Nodes Substituted imidazoles
Direct ParentPhenylimidazoles
Alternative Parents Methoxyanilines  Phenoxy compounds  Anisoles  Methoxybenzenes  Piperidinones  Alkyl aryl ethers  Fluorobenzenes  Delta lactams  Aryl fluorides  N-substituted imidazoles  Tertiary carboxylic acid amides  Heteroaromatic compounds  Azacyclic compounds  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organofluorides  Organonitrogen compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 1-phenylimidazole - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Delta-lactam - Fluorobenzene - Piperidinone - Halobenzene - Benzenoid - Piperidine - Monocyclic benzene moiety - N-substituted imidazole - Aryl halide - Aryl fluoride - Heteroaromatic compound - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Aromatic heteromonocyclic compound
설명This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BACE1 Tchem Beta-secretase 1 (15641 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Caco-2 (12174 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsomes (16955 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APH1A Tbio Gamma-secretase (4915 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDCK (10148 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:

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

8 results found

Lot NumberCertificate Type날짜항목
G2408103Certificate of AnalysisMar 19, 2024 E288274
G2408104Certificate of AnalysisMar 19, 2024 E288274
G2408105Certificate of AnalysisMar 19, 2024 E288274
G2408106Certificate of AnalysisMar 19, 2024 E288274
G2408124Certificate of AnalysisMar 19, 2024 E288274
G2408125Certificate of AnalysisMar 19, 2024 E288274
G2408126Certificate of AnalysisMar 19, 2024 E288274
G2408127Certificate of AnalysisMar 19, 2024 E288274
화학 및 물리적 특성
용해성Solvent:1eq. HCl, Max Conc. mg/mL: 41.95, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 41.95, Max Conc. mM: 100
분자량419.500 g/mol
XLogP34.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass419.201 Da
Monoisotopic Mass419.201 Da
Topological Polar Surface Area47.400 Ų
Heavy Atom Count31
Formal Charge0
Complexity649.000
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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