SP-420 - ≥98% , Iron sequestering agent, CAS No.911714-45-9, Iron sequestering agent

CAS: 911714-45-9 Cat. No.: S671344 Peso molecular: 355.4 PubChem CID: 135511704

GRADE & PURITY ≥98%

Synonyms

SP-420 | MS-25557 | SCHEMBL1314903 | (4S)-4,5-Dihydro-2-(2-hydroxy-4-(2-(2-methoxyethoxy)ethoxy)phenyl)-4-methyl-4-thiazolecarboxylic acid | SP 420 | WBX54NZ436 | YASYAEVZKXPYIZ-MRXNPFEDSA-N | AC-35474 | UNII-WBX54NZ436 | (S)-2-(2-hydroxy-4-(2-(2-methoxye

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

SP-420 is a desferrithiocin analogue with iron-clearing efficiency with ICE value of 26.7; more potent than desferrithiocin.

Specifications

Sinónimos

SP-420 | MS-25557 | SCHEMBL1314903 | (4S)-4, 5-Dihydro-2-(2-hydroxy-4-(2-(2-methoxyethoxy)ethoxy)phenyl)-4-methyl-4-thiazolecarboxylic acid | SP 420 | WBX54NZ436 | YASYAEVZKXPYIZ-MRXNPFEDSA-N | AC-35474 | UNII-WBX54NZ436 | (S)-2-(2-hydroxy-4-(2-(2-methoxye

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

SEQUESTERING AGENT

Mecanismo de acción

Iron sequestering agent

Pureza

≥98%

Propiedades del producto

• ALogP: 1.3

Nombres e identificadores

• Sonrisas canónicas: CC1(CSC(=N1)C2=C(C=C(C=C2)OCCOCCOC)O)C(=O)O
• IUPAC Name: (4S)-2-[2-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
• InChIKey: YASYAEVZKXPYIZ-MRXNPFEDSA-N
• INCHI: 1S/C16H21NO6S/c1-16(15(19)20)10-24-14(17-16)12-4-3-11(9-13(12)18)23-8-7-22-6-5-21-2/h3-4,9,18H,5-8,10H2,1-2H3,(H,19,20)/t16-/m1/s1
• Isómeros SMILES: C[C@@]1(CSC(=N1)C2=C(C=C(C=C2)OCCOCCOC)O)C(=O)O
• PubChem CID: 135511704
• Peso molecular: 355.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Imidothiolactones Thiazolines Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Imidothiolactone - Benzenoid - Meta-thiazoline - Carboxylic acid - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), 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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Rattus norvegicus (775804 Activities)

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Sapajus apella (176 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 355.400 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 355.109 Da
• Monoisotopic Mass: 355.109 Da
• Topological Polar Surface Area: 123.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 460.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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