MKC-3946 - ≥99% , CAS No.1093119-54-0

CAS: 1093119-54-0 Cat. No.: M413961 分子式: C21H20N2O3S 分子量: 380.46
注文可能
GRADE & PURITY ≥99%
Synonyms
1-​Naphthalenecarboxald​ehyde,2-​hydroxy-​6-​[5-​[(4-​methyl-​1-​piperazinyl)​carbonyl]​-​2-​thienyl]​-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
ドイツ (EU)*
Price
Qty
2mg
M413961-2mg
2 在庫あり
—
$185.90
5mg
M413961-5mg
3 在庫あり
—
$333.90
25mg
M413961-25mg
3 在庫あり
—
$1,297.90
Enter a quantity for the sizes you want to add.
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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.

📚

Literature proof

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

概要

Information

MKC-3946 MKC3946 is a potent and soluble IRE1α endoribonuclease domain inhibitor which triggered modest growth inhibition in multiple myeloma cell lines, without toxicity in normal mononuclear cells.


Targets

IRE1α endoribonuclease


In vitro

MKC-3946 triggers modest growth inhibition in MM cell lines, without toxicity in normal mononuclear cells. Importantly, it significantly enhances cytotoxicity induced by bortezomib or 17-AAG, even in the presence of bone marrow stromal cells or exogenous IL-6. Both bortezomib and 17-AAG induce ER stress, evidenced by induction of XBP1s, which is blocked by MKC-3946. Apoptosis induced by these agents is enhanced by MKC-3946, associated with increased CHOP. MKC-3946 treatment does not inhibit IRE1α kinase function or binding of activated IRE1α to TRAF2 and downstream JNK signaling.


In vivo

MKC-3946 inhibits XBP1 splicing in a model of ER stress associated with significant growth inhibition of MM cells.


Cell Research(from reference)

Cell lines:RPMI 8226 cells 

Concentrations:2.5, 5, 10 μM 

Incubation Time:3 hours 

Specifications

同義語
1-​Naphthalenecarboxald​ehyde,2-​hydroxy-​6-​[5-​[(4-​methyl-​1-​piperazinyl)​carbonyl]​-​2-​thienyl]​-
仕様と純度
≥99%
生化学的・生理学的メカニズム
MKC3946 is a potent and soluble IRE1α endoribonuclease domain inhibitor which triggered modest growth inhibition in multiple myeloma cell lines, without toxicity in normal mononuclear cells.
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%
製品の性質
ALogP
3.39
hba_count
2
HBD数
1
回転可能な結合
3
名前と識別子
パブケム・シド
パブケム・シド・ウル
https://pubchem.ncbi.nlm.nih.gov/substance/504771755
カノニカル・スマイル
CN1CCN(CC1)C(=O)C2=CC=C(S2)C3=CC4=C(C=C3)C(=C(C=C4)O)C=O
IUPAC Name
2-hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]naphthalene-1-carbaldehyde
InChIKey
IVQVBMWPWPTSNO-UHFFFAOYSA-N
INCHI
1S/C21H20N2O3S/c1-22-8-10-23(11-9-22)21(26)20-7-6-19(27-20)15-2-4-16-14(12-15)3-5-18(25)17(16)13-24/h2-7,12-13,25H,8-11H2,1H3
異性体SMILES
CN1CCN(CC1)C(=O)C2=CC=C(S2)C3=CC4=C(C=C3)C(=C(C=C4)O)C=O
分子量
380.46
Reaxy-Rn
18798402
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18798402&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
SuperclassBenzenoids
分類Naphthalenes
SubclassNaphthols and derivatives
Intermediate Tree Nodes Not available
Direct ParentNaphthols and derivatives
Alternative Parents Thiophene carboxamides  2-heteroaryl carboxamides  N-methylpiperazines  Aryl-aldehydes  2,5-disubstituted thiophenes  1-hydroxy-2-unsubstituted benzenoids  Vinylogous acids  Tertiary carboxylic acid amides  Heteroaromatic compounds  Trialkylamines  Amino acids and derivatives  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 2-naphthol - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Aryl-aldehyde - Phenol - N-methylpiperazine - 2,5-disubstituted thiophene - N-alkylpiperazine - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Thiophene - Heteroaromatic compound - Vinylogous acid - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aldehyde - Organic oxygen compound - Organooxygen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
説明This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
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)
ERN1 Tchem Serine/threonine-protein kinase/endoribonuclease IRE1 (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ERN1 Tchem Serine/threonine-protein kinase/endoribonuclease IRE1 (1682 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
関連ターゲット(非人間)
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 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:

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

4 results found

Lot NumberCertificate Type日付商品
J2218229Certificate of AnalysisAug 15, 2025 M413961
J2218228Certificate of AnalysisAug 15, 2025 M413961
J2218227Certificate of AnalysisAug 15, 2025 M413961
C2527341Certificate of AnalysisJul 01, 2022 M413961
化学的性質と物理的性質
溶解度Solubility (25°C) In vitro DMSO: 38 mg/mL (99.87 mM); Ethanol: 3 mg/mL (7.88 mM); Water: Insoluble;
DMSO(mg / mL) 最大溶解度38
DMSO(mM) 最大溶解度99.87909373
水(mg / mL) 最大溶解度<1
分子量380.500 g/mol
XLogP33.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass380.119 Da
Monoisotopic Mass380.119 Da
Topological Polar Surface Area89.100 Ų
Heavy Atom Count27
Formal Charge0
Complexity552.000
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
ソリューション計算機
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よくある質問

What is the purity of this product?
This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.
How should this product be stored?
Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 1093119-54-0, the molecular formula is C21H20N2O3S, and the molecular weight is 380.46 g/mol. InChIKey IVQVBMWPWPTSNO-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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