Homocarbonyltopsentin - ≥99% , CAS No.172286-77-0

CAS: 172286-77-0 Cat. No.: H647569 분자식: C₂₁H₁₄N₄O₃ 분자량: 370.36 PubChem CID: 11326167

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Homocarbonyltopsentin (PK4C9) is a small-molecule TSL2 -binding compound, binds to pentaloop conformations of TSL2 and promotes a shift to triloop conformations that display enhanced SMN2 exon 7 (E7) splicing with EC 50 value of 16 μM.

In Vitro

Homocarbonyltopsentin (PK4C9) (10-40 μM; 24 hours) shows an up to 5.2-fold decrease in the expression of E7-excluding SMN2 isoforms, and up to three-fold increase in E7-including isoforms in GM03813C cells. ?\nHomocarbonyltopsentin (PK4C9) (40 μM; 24 hours) increased 1.5-fold SMN protein expression compared to GM03813C cells treated with DMSO. MCE has not independently confirmed the accuracy of these methods. They are for reference only. RT-PCRCell Line: GM03813C (SMA) cells; GM03814B fibroblasts cells Concentration: 10-40 μM Incubation Time: 24 hours Result: E7 inclusion reached a maximum of 91% (25% increase, DMSO-treated cells). Western Blot AnalysisCell Line: GM03813C (SMA) cells; GM03814B fibroblasts cells Concentration: 40 μM Incubation Time: 24 hours Result: Increased SMN protein in SMA cells.

Form:Solid

Specifications

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

Homocarbonyltopsentin (PK4C9) is a small-molecule TSL2 -binding compound, binds to pentaloop conformations of TSL2 and promotes a shift to triloop conformations that display enhanced SMN2 exon 7 (E7) splicing with EC 50 value of 16 μM.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥99%

이름과 식별자

정식 스마일

C1=CC=C2C(=C1)C(=CN2)C(=O)C3=CN=C(N3)C(=O)C4=CNC5=C4C=CC(=C5)O

IUPAC Name

[2-(6-hydroxy-1H-indole-3-carbonyl)-1H-imidazol-5-yl]-(1H-indol-3-yl)methanone

InChIKey

DRCVQVIMGSWRLN-UHFFFAOYSA-N

INCHI

1S/C21H14N4O3/c26-11-5-6-13-15(9-23-17(13)7-11)20(28)21-24-10-18(25-21)19(27)14-8-22-16-4-2-1-3-12(14)16/h1-10,22-23,26H,(H,24,25)

이성체 SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)C3=CN=C(N3)C(=O)C4=CNC5=C4C=CC(=C5)O

PubChem CID

11326167

분자량

370.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids and derivatives
• Alternative Parents: Hydroxyindoles Indoles Aryl ketones Carbonylimidazoles 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid derivative - Hydroxyindole - Indole - Aryl ketone - Imidazole-4-carbonyl group - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Azole - Pyrrole - Imidazole - Vinylogous amide - Ketone - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
• 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

화학 및 물리적 특성

• 용해성: DMSO : 125 mg/mL (337.51 mM; Need ultrasonic)