MB710 - ≥98% , CAS No.2230044-57-0

CAS: 2230044-57-0 Cat. No.: M648642 Formule: C₁₆H₁₆IN₃O₃S Poids moléculaire: 457.29 PubChem CID: 133082032

QUALITÉ & PURETÉ ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

MB710, an aminobenzothiazole derivative, is a stabilizer of oncogenic p53 mutation Y220C . MB710 binds tightly to the Y220C pocket and stabilizes p53-Y220C , with a K d of 4.1 μM. MB710 shows anticancer activity in p53-Y220C cell lines

In Vitro

MB710 (0-200 μM; 72 hours) shows relatively low toxicity against all cell lines tested at concentrations up to 60 μM, while showing initial selective viability reduction at higher concentrations. MB710 (72 hours) treats cancer cell lines NUGC3, NUGC4, WI38 and SW1088, with IC 50 s of 90, 120, >120, >120 μM, respectively. MB710 (0-120 μM; 72 hours; HUH-7 cells) shows stronger cytotoxic effects in presence of p53-Y220C. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: NUGC3 (mutant p53 Y220C), HUH-7 (mutant p53 Y220C), NUGC4 (p53 WT), HUH-6 cells (p53 WT) Concentration: 0-200 μM Incubation Time: 72 hours Result: Showed relatively low toxicity against all cell lines tested at concentrations up to 60 μM. NUGC3 was the most sensitive cell line.

Form:Solid

IC50& Target:Kd: 4 μM (p53-Y220C)

Spécifications

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

MB710, an aminobenzothiazole derivative, is a stabilizer of oncogenic p53 mutation Y220C . MB710 binds tightly to the Y220C pocket and stabilizes p53-Y220C , with a K d of 4.1u202fμM. MB710 shows anticancer activity in p53-Y220C cell lines.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Sourires canoniques

CCN(CC)C1=NC2=C(C(=C(C(=C2S1)N3C=CC=C3)I)O)C(=O)O

IUPAC Name

2-(diethylamino)-5-hydroxy-6-iodo-7-pyrrol-1-yl-1,3-benzothiazole-4-carboxylic acid

InChIKey

SEBJATZOIHUGAU-UHFFFAOYSA-N

INCHI

1S/C16H16IN3O3S/c1-3-19(4-2)16-18-11-9(15(22)23)13(21)10(17)12(14(11)24-16)20-7-5-6-8-20/h5-8,21H,3-4H2,1-2H3,(H,22,23)

Isomères SMILES

CCN(CC)C1=NC2=C(C(=C(C(=C2S1)N3C=CC=C3)I)O)C(=O)O

PubChem CID

133082032

Poids moléculaire

457.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Salicylic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives
• Direct Parent: Salicylic acid and derivatives
• Alternative Parents: Benzothiazoles O-iodophenols Dialkylarylamines Substituted pyrroles Aryl iodides 2-amino-1,3-thiazoles Vinylogous acids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organoiodides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Salicylic acid or derivatives - 1,3-benzothiazole - Dialkylarylamine - 2-iodophenol - 1,3-thiazol-2-amine - Substituted pyrrole - Aryl iodide - Aryl halide - Heteroaromatic compound - Vinylogous acid - Thiazole - Pyrrole - Azole - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as salicylic acid and derivatives. These are compounds containing a 2-hydroxybenzoic acid moiety or a derivative thereof.
• 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

Cibles associées (humaines)

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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

BXPC-3 (2997 Activities)

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

Huh-7 (12904 Activities)

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

NUGC-3 (976 Activities)

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

NUGC-4 (61 Activities)

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

SW1088 (137 Activities)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 16.67 mg/mL (36.45 mM; Need ultrasonic)

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% 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 2230044-57-0, the molecular formula is C16H16IN3O3S, and the molecular weight is 457.29 g/mol. InChIKey SEBJATZOIHUGAU-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.