WAY-388279 - 10mM in DMSO , CAS No.615282-41-2

CAS: 615282-41-2 Cat. No.: W425098 Formula: C₁₄H₁₃NO₆S Peso molecolare: 323.32 PubChem CID: 700001

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

antimitotic activity; altering the lifespan of a eukaryotic organism;

Specifications

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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Nomi e identificatori

Sorrisi canonici

COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)NCC(=O)O)OC

IUPAC Name

2-[(7,8-dimethoxy-1-oxoisothiochromene-3-carbonyl)amino]acetic acid

InChIKey

RHPVPBNKURDNMV-UHFFFAOYSA-N

INCHI

1S/C14H13NO6S/c1-20-8-4-3-7-5-9(13(18)15-6-10(16)17)22-14(19)11(7)12(8)21-2/h3-5H,6H2,1-2H3,(H,15,18)(H,16,17)

Isomeri SMILES

COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)NCC(=O)O)OC

PubChem CID

700001

Peso molecolare

323.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids
• Alternative Parents: Isothiochromenes 2-benzothiopyrans 2-heteroaryl carboxamides Anisoles Alkyl aryl ethers Vinylogous esters Heteroaromatic compounds Carbothioic S-lactones Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-acyl-alpha-amino acid - Isothiochromene - 2-benzothiopyran - Benzothiopyran - 2-heteroaryl carboxamide - Anisole - Alkyl aryl ether - Benzenoid - Heteroaromatic compound - Vinylogous ester - Carbothioic s-lactone - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
• 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

Obiettivi associati (umani)

SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)

Discover Target: SMPD1

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MCF7 (126967 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

Discover Target: MBNL1

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Obiettivi associati (non umani)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Plasmodium falciparum (966862 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 323.320 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 323.046 Da
• Monoisotopic Mass: 323.046 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 506.000
• 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

Domande frequenti

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 615282-41-2, the molecular formula is C14H13NO6S, and the molecular weight is 323.32 g/mol. InChIKey RHPVPBNKURDNMV-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.