NCT-506 - ≥99% , CAS No.2231098-99-8

CAS: 2231098-99-8 Cat. No.: N647377 分子式: C25H23FN4O3S 分子量: 478.54 PubChem CID: 137628670
注文可能
GRADE & PURITY ≥99%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
ドイツ (EU)*
Price
Qty
5mg
N647377-5mg
受注生産 · 8~12週間
$740.90
10mg
N647377-10mg
受注生産 · 8~12週間
$1,200.90
25mg
N647377-25mg
受注生産 · 8~12週間
$2,400.90
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Why this grade

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

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

概要

NCT-506 is an orally bioavailable aldehyde dehydrogenase 1A1 ( ALDH1A1 ) inhibitors with an IC 50 of 7 nM.

In Vitro

NCT-506 inhibits ALDH1A1, hALDH1A3, hALDH2 with IC 50 s of 0.007±0.001, 16.4±3.99, and 21.5 μM, respectively. NCT-506 (100, 10, 1, 0.1 μM, 6 days) decreases significantly cell viability with an EC 50 of 45.6 μM in OV-90 cells. NCT-506 inhibits MIA PaCa-2, OV-90, and HT-29 cells with IC 50 s of 0.077±0.040, 0.161±0.038, and 0.048±0.022 μM in aldefluor cell-based assays, respectively. NCT-506 is treated in combined with Paclitaxel, IC 50 s of 1202, 924, 870, 411, 102, and 31.8 nM with concentrations of NCT-506 at 0 (DMSO), 1, 3, 10, 20, 30 μM in SKOV-3-TR cells, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: OV-90 and SKOV-3-TR cells Concentration: 100, 10, 1, 0.1 μM Incubation Time: 6 days for OV-90 cells; 4 days for SKOV-3-TR cells Result: Decreased significantly cell viability with an EC 50 of 45.6 μM in OV-90 cells. Decreased cell viability in combined treatments (Paclitaxel concentration of 100 nM) with an EC 50 of 11.2 μM in SKOV-3-TR cells.

Form:Solid

Specifications

仕様と純度
≥99%
生化学的・生理学的メカニズム
NCT-506 is an orally bioavailable aldehyde dehydrogenase 1A1 ( ALDH1A1 ) inhibitors with an IC 50 of 7 nM.
保管条件
Store at -20°C
入荷
Ice chest + Ice pads
この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。
アクションタイプ
INHIBITOR
純度
≥99%
名前と識別子
カノニカル・スマイル
CS(=O)(=O)N1CCN(CC1)C(=O)C2=CN=C3C=CC(=CC3=C2C4=CC=C(C=C4)C5(CC5)C#N)F
IUPAC Name
1-[4-[6-fluoro-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]phenyl]cyclopropane-1-carbonitrile
InChIKey
WIXZFNIBMHEUJH-UHFFFAOYSA-N
INCHI
1S/C25H23FN4O3S/c1-34(32,33)30-12-10-29(11-13-30)24(31)21-15-28-22-7-6-19(26)14-20(22)23(21)17-2-4-18(5-3-17)25(16-27)8-9-25/h2-7,14-15H,8-13H2,1H3
異性体SMILES
CS(=O)(=O)N1CCN(CC1)C(=O)C2=CN=C3C=CC(=CC3=C2C4=CC=C(C=C4)C5(CC5)C#N)F
PubChem CID
137628670
分子量
478.54

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
分類Quinolines and derivatives
SubclassPhenylquinolines
Intermediate Tree Nodes Not available
Direct ParentPhenylquinolines
Alternative Parents Quinoline-3-carboxamides  Phenylpyridines  Haloquinolines  Pyridinecarboxylic acids and derivatives  Piperazines  Organosulfonamides  Organic sulfonamides  Benzene and substituted derivatives  Aryl fluorides  Tertiary carboxylic acid amides  Sulfonyls  Heteroaromatic compounds  Nitriles  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylquinoline - Quinoline-3-carboxamide - 4-phenylpyridine - Haloquinoline - Pyridine carboxylic acid or derivatives - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid amide - Pyridine - Piperazine - 1,4-diazinane - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Azacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
説明This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
External Descriptors Not available
3 D構造
インタラクティブ化学構造モデル





関連ターゲット(人間)
ALDH1A1 Tchem Retinal dehydrogenase 1 (10 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ALDH1A3 Tchem Aldehyde dehydrogenase 1A3 (336 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SK-OV-3 (52876 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
関連ターゲット(非人間)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
作用メカニズム
証明書(CoA、COO、BSE/TSEと分析図)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
化学的性質と物理的性質
溶解度DMSO : 33.33 mg/mL (69.65 mM; Need ultrasonic)
ソリューション計算機
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