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

CAS: 371924-24-2 Cat. No.: M423667 분자식: C₂₃H₂₇N₃O₂ 분자량: 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

개요

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

동의어

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

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

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.

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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작업 유형

INHIBITOR

이름과 식별자

• Pubchem Sid: 528765431
• 정식 스마일: 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)
• 이성체 SMILES: CCN(CC)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=NC=C2C(=O)OCC)C
• 분자량: 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
    • 분류 Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

Discover Target: GAA

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MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)

Discover Target: MTOR

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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)

Discover Target: TP53

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HEK293 (82097 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Discover Target: KDM4A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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)

Discover Target: BAZ2B

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관련 대상(비인간)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Luciferin 4-monooxygenase (66902 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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

Discover Target: Nfe2l2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FTL Ferritin light chain (43324 Activities)

Discover Target: FTL

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작용 메커니즘

화학 및 물리적 특성

• 분자량: 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

참고 문헌

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]