9-ing-41 - Moligand™, 10mM in DMSO , Glycogen synthase kinase-3 beta inhibitor, CAS No.1034895-42-5, Glycogen synthase kinase-3 beta inhibitor

CAS: 1034895-42-5 Cat. No.: I420425 분자식: C22H13FN2O5 분자량: 404.35
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
3-(5-FLUORO-1-BENZOFURAN-3-YL)-4-(5-METHYL-5H- (1,3)DIOXOLO(4,5-F)INDOL-7-YL)-1H-PYRROLE-2,5-DIONE | WHO 11553 | 2-(hydroxymethyl)-isoindole-1,3-dione | ND1SOF0DLU | EX-A4074 | 3-(5-Fluoro-benzofuran-3-yl)-4-(5-methyl-5H-(1,3)dioxolo(4,5-F)indol-7-yl)-pyr
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
USA
독일 (EU)*
Price
Qty
1ml
I420425-1ml
2 재고 있음
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US$202.90

US$296.90
저장 US$94.00 (31.66%)
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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.

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Literature proof

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

개요

Information

9-ing-41 9-ING-41 is a potent inhibitor of glycogen synthase kinase-3 (GSK-3) with antitumor activity. 9-ING-41 induces apoptosis and cell cycle arrest at prophase by targeting centrosomes and microtubule-bound GSK3β.

Targets

GSK-3

In vitro

9-ING-41, a clinically relevant small molecule GSK-3β inhibitor with broad spectrum pre-clinical antitumor activity, suppresses the growth of neuroblastoma cells. 9-ING-41 induces apoptosis and cell cycle arrest at prophase by targeting centrosomes and microtubule-bound GSK3β.

In vivo

9-ING-41 has single-agent antitumor activity in a mouse model of MCL. Mouse xenograft studies shows that the combination of clinically relevant doses of CPT-11 and 9-ING-41 lead to greater antitumor effect than is observed with either agent alone.

Cell Research(from reference)

Cell lines:Neuroblastoma cell lines SK-N-DZ, SK-N-BE 

Concentrations:0.1 μM–1 μM 

Incubation Time:48 h 

Specifications

동의어
3-(5-FLUORO-1-BENZOFURAN-3-YL)-4-(5-METHYL-5H- (1,3)DIOXOLO(4,5-F)INDOL-7-YL)-1H-PYRROLE-2,5-DIONE | WHO 11553 | 2-(hydroxymethyl)-isoindole-1,3-dione | ND1SOF0DLU | EX-A4074 | 3-(5-Fluoro-benzofuran-3-yl)-4-(5-methyl-5H-(1,3)dioxolo(4,5-F)indol-7-yl)-pyr
사양 및 순도
Moligand™, 10mM in DMSO
생화학 및 생리적 메커니즘
9-ING-41 is a potent inhibitor of glycogen synthase kinase-3 (GSK-3) with antitumor activity. 9-ING-41 induces apoptosis and cell cycle arrest at prophase by targeting centrosomes and microtubule-bound GSK3β.
보관 조건
Store at -80°C
배송
Dry ice packs + Cold packs
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등급
Moligand™
작업 유형
INHIBITOR
작동 메커니즘
Glycogen synthase kinase-3 beta inhibitor
제품 특성
ALogP3.339
hba_count5
HBD 수1
회전 가능한 결합2
이름과 식별자
Pubchem Sid528762942
정식 스마일CN1C=C(C2=CC3=C(C=C21)OCO3)C4=C(C(=O)NC4=O)C5=COC6=C5C=C(C=C6)F
IUPAC Name3-(5-fluoro-1-benzofuran-3-yl)-4-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)pyrrole-2,5-dione
InChIKeyFARXPFGGGGLENU-UHFFFAOYSA-N
INCHI1S/C22H13FN2O5/c1-25-7-13(11-5-17-18(6-15(11)25)30-9-29-17)19-20(22(27)24-21(19)26)14-8-28-16-3-2-10(23)4-12(14)16/h2-8H,9H2,1H3,(H,24,26,27)
이성체 SMILES CN1C=C(C2=CC3=C(C=C21)OCO3)C4=C(C(=O)NC4=O)C5=COC6=C5C=C(C=C6)F
분자량 404.35
Reaxy-Rn 18405610
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18405610&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
분류Indoles and derivatives
SubclassN-alkylindoles
Intermediate Tree Nodes Not available
Direct ParentN-alkylindoles
Alternative Parents Indoles  Benzodioxoles  Benzofurans  Maleimides  Aryl fluorides  Benzenoids  N-methylpyrroles  Pyrrolines  N-unsubstituted carboxylic acid imides  Heteroaromatic compounds  Furans  Dicarboximides  Oxacyclic compounds  Acetals  Azacyclic compounds  Carbonyl compounds  Hydrocarbon derivatives  Organic oxides  Organofluorides  Organonitrogen compounds  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents N-alkylindole - Benzodioxole - Benzofuran - Indole - Maleimide - Aryl fluoride - Aryl halide - N-methylpyrrole - Substituted pyrrole - Benzenoid - Furan - Dicarboximide - Pyrroline - Pyrrole - Heteroaromatic compound - Carboxylic acid imide - Carboxylic acid imide, n-unsubstituted - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
GSK3B Tclin Glycogen synthase kinase-3 beta (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BXPC-3 (2997 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MIA PaCa-2 (5949 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
DMSO(mg/mL) 최대 용해도81
DMSO(mM) 최대 용해도200.32150364783
물(mg/mL) 최대 용해도<1
분자량404.300 g/mol
XLogP33.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass404.081 Da
Monoisotopic Mass404.081 Da
Topological Polar Surface Area82.700 Ų
Heavy Atom Count30
Formal Charge0
Complexity802.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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