MCU-i4 - 10mM in DMSO , CAS No.371924-24-2

CAS: 371924-24-2 Cat. No.: M423667 Formula: C₂₃H₂₇N₃O₂ Peso molecolare: 377.48

GRADE & PURITY 10mM in DMSO

Synonyms

3-​Quinolinecarboxylic acid,4-​[[4-​(diethylamino)​phenyl]​amino]​-​6-​methyl-​,ethyl ester

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Information

MCU-i4 MCU-i4 is a negative modulator of the mitochondrial calcium uniporter (MCU) complex that directly binds a specific cleft in MICU1 and decreases mitochondrial Ca2+ influx.

Targets

MCU1

In vitro

MCU-i4 decreases mitochondrial Ca2+ influx. Docking simulations reveal that MCU-i4 directly binds a specific cleft in MICU1, a key element of the MCU complex that controls channel gating. Accordingly, in MICU1-silenced or deleted cells, the inhibitory effect of MCU-i4 is lost. Moreover, MCU-i4 fails to inhibit mitochondrial Ca2+ uptake in cells expressing a MICU1 mutated in the critical amino acids that forge the predicted binding cleft.

Cell Research(from reference)

Cell lines：C2C12 myoblasts 

Concentrations：10 μM 

Incubation Time：24 h 

Specifications

Sinonimi

3-​Quinolinecarboxylic acid,4-​[[4-​(diethylamino)​phenyl]​amino]​-​6-​methyl-​,ethyl ester

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

MCU-i4 is a negative modulator of the mitochondrial calcium uniporter (MCU) complex that directly binds a specific cleft in MICU1 and decreases mitochondrial Ca2+ influx.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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Tipo di azione

INHIBITOR

Nomi e identificatori

• Pubchem Sid: 528765431
• Sorrisi canonici: CCN(CC)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=NC=C2C(=O)OCC)C
• IUPAC Name: ethyl 4-[4-(diethylamino)anilino]-6-methylquinoline-3-carboxylate
• InChIKey: RIWXBJCWHVMATR-UHFFFAOYSA-N
• INCHI: 1S/C23H27N3O2/c1-5-26(6-2)18-11-9-17(10-12-18)25-22-19-14-16(4)8-13-21(19)24-15-20(22)23(27)28-7-3/h8-15H,5-7H2,1-4H3,(H,24,25)
• Isomeri SMILES: CCN(CC)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=NC=C2C(=O)OCC)C
• Peso molecolare: 377.48
• Reaxy-Rn: 54864232
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=54864232&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-aminoquinolines
• Alternative Parents: Pyridinecarboxylic acids Dialkylarylamines Aniline and substituted anilines Aminopyridines and derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Secondary amines Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - Aminopyridine - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HEK293 (82097 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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ampC Beta-lactamase AmpC (62480 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 377.500 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 377.21 Da
• Monoisotopic Mass: 377.21 Da
• Topological Polar Surface Area: 54.500 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 488.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Riferimenti

1. Qian Jing, Mengnan Zhao, Yan Tang, Tao Chen, Mingyan Sun, Dandan Mi, Lan Zou, Rujing Wang, Jun Lu, Sanjun Shi.  (2025)  A systemic immunogenic reactor leveraging modified γ-cyclodextrins for photo-controlled cancer Ca2+ interference via modulating MICU1.  Acta Pharmaceutica Sinica B,      [PMID:41685149] [10.1016/j.apsb.2025.10.046]