SID 7969543 - Moligand™, ≥98% , CAS No.868224-64-0

CAS: 868224-64-0 Cat. No.: S287068 분자식: C24H24N2O7 분자량: 452.46 PubChem CID: 4076092
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%
Synonyms
HY-107404 | MS-28223 | SID 7969543 | ETHYL 2-[[2-[2-[(2,3-DIHYDRO-BENZO[B][1,4]DIOXINE-6-YL)AMINO]-2-OXOETHYL]-1,2-DIHYDRO-1-OXO-5-ISOQUINOLINYL]OXY]PROPANOATE | ethyl 2-[(2-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-1-oxo-1,2-dihydroisoquinoli
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
Size
USA
독일 (EU)*
Price
Qty
5mg
S287068-5mg
3 재고 있음
US$199.90
10mg
S287068-10mg
2 재고 있음
US$254.90
25mg
S287068-25mg
2 재고 있음
US$519.90
50mg
S287068-50mg
1 재고 있음
US$823.90
100mg
S287068-100mg
1 재고 있음
US$1,399.90
Enter a quantity for the sizes you want to add.
🧪

Why this grade

Moligand™, ≥98% 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
HY-107404 | MS-28223 | SID 7969543 | ETHYL 2-[[2-[2-[(2,3-DIHYDRO-BENZO[B][1,4]DIOXINE-6-YL)AMINO]-2-OXOETHYL]-1,2-DIHYDRO-1-OXO-5-ISOQUINOLINYL]OXY]PROPANOATE | ethyl 2-[(2-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-1-oxo-1,2-dihydroisoquinoli
사양 및 순도
Moligand™, ≥98%
생화학 및 생리적 메커니즘
Selective steroidogenic factor-1 (SF-1, NR5A1) inhibitor (IC50values are 0.76, >33 and >33μM at SF-1, RORαand VP16 respectively). Inhibits SF-1-dependent luciferase expression in HEK 293T cellsin vitro(IC50= 30 nM).
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
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등급
Moligand™
순수함
≥98%
이름과 식별자
Pubchem Sid504762832
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504762832
정식 스마일CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC4=C(C=C3)OCCO4
IUPAC Nameethyl 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate
InChIKeyKWMBIIQCLUIHDI-UHFFFAOYSA-N
INCHI1S/C24H24N2O7/c1-3-30-24(29)15(2)33-19-6-4-5-18-17(19)9-10-26(23(18)28)14-22(27)25-16-7-8-20-21(13-16)32-12-11-31-20/h4-10,13,15H,3,11-12,14H2,1-2H3,(H,25,27)
이성체 SMILES CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC4=C(C=C3)OCCO4
WGK 독일 3
PubChem CID 4076092
분자량 452.46

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
분류Isoquinolines and derivatives
SubclassIsoquinolones and derivatives
Intermediate Tree Nodes Not available
Direct ParentIsoquinolones and derivatives
Alternative Parents Phenoxyacetic acid derivatives  Benzo-1,4-dioxanes  N-arylamides  Pyridinones  Alkyl aryl ethers  Para dioxins  Heteroaromatic compounds  Secondary carboxylic acid amides  Carboxylic acid esters  Lactams  Oxacyclic compounds  Azacyclic compounds  Monocarboxylic acids and derivatives  Carbonyl compounds  Organic oxides  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Isoquinolone - Phenoxyacetate - Benzo-1,4-dioxane - Benzodioxane - N-arylamide - Alkyl aryl ether - Pyridinone - Para-dioxin - Pyridine - Benzenoid - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Lactam - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
NR5A1 Tchem Steroidogenic factor 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
YES1 Tclin Tyrosine-protein kinase YES (2781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR5A2 Tchem Orphan nuclear receptor LRH-1 (736 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR5A1 Tchem Steroidogenic factor 1 (399 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RORA Tchem Nuclear receptor ROR-alpha (562 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Cruzipain (33337 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 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.

10 results found

Lot NumberCertificate Type날짜항목
H2303799Certificate of AnalysisMay 18, 2026 S287068
H2303803Certificate of AnalysisMay 18, 2026 S287068
H2303817Certificate of AnalysisMay 18, 2026 S287068
H2303821Certificate of AnalysisMay 18, 2026 S287068
H2303823Certificate of AnalysisMay 18, 2026 S287068
H2303824Certificate of AnalysisMay 18, 2026 S287068
H2303827Certificate of AnalysisMay 18, 2026 S287068
H2303830Certificate of AnalysisMay 18, 2026 S287068
H2303832Certificate of AnalysisMay 18, 2026 S287068
H2303833Certificate of AnalysisMay 18, 2026 S287068
화학 및 물리적 특성
용해성Solvent:DMSO, Max Conc. mg/mL: 45.25, Max Conc. mM: 100
분자량452.500 g/mol
XLogP32.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass452.158 Da
Monoisotopic Mass452.158 Da
Topological Polar Surface Area103.000 Ų
Heavy Atom Count33
Formal Charge0
Complexity757.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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리뷰

고객 리뷰

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