SIBA - 10mM in DMSO , CAS No.35899-54-8

CAS: 35899-54-8 Cat. No.: S423616 Peso molecular: 339.41 PubChem CID: 123674

GRADE & PURITY 10mM in DMSO

Synonyms

5'-ISOBUTYLTHIO-5'-DEOXYADENOSINE | CAS_35899-54-8 | 5'-deoxy-5'-S-isobutylthioadenosine | 5'-Deoxy-5'-isobutylthioadenosine | 5'-S-Isobutyl-5'-deoxyadenosine | AKOS030526790 | 5'-Deoxy-5'-S-isobutyladenosine | HY-18684 | (2R,3R,4S,5S)-2-(6-Amino-9H-purin

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Information

SIBA (5'-Isobutylthioadenosine, 5'-Deoxy-5'-isobutylthioadenosine) is a selective inhibitor of spermine synthase with IC50 of 8 μM.

Specifications

Sinónimos

5'-ISOBUTYLTHIO-5'-DEOXYADENOSINE | CAS_35899-54-8 | 5'-deoxy-5'-S-isobutylthioadenosine | 5'-Deoxy-5'-isobutylthioadenosine | 5'-S-Isobutyl-5'-deoxyadenosine | AKOS030526790 | 5'-Deoxy-5'-S-isobutyladenosine | HY-18684 | (2R, 3R, 4S, 5S)-2-(6-Amino-9H-purin

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

SIBA (5'-Isobutylthioadenosine, 5'-Deoxy-5'-isobutylthioadenosine) is a selective inhibitor of spermine synthase with IC50 of 8 μM.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Nombres e identificadores

• Sonrisas canónicas: CC(C)CSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O
• IUPAC Name: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
• InChIKey: JDDUQGRUPLKDNT-IDTAVKCVSA-N
• INCHI: 1S/C14H21N5O3S/c1-7(2)3-23-4-8-10(20)11(21)14(22-8)19-6-18-9-12(15)16-5-17-13(9)19/h5-8,10-11,14,20-21H,3-4H2,1-2H3,(H2,15,16,17)/t8-,10-,11-,14-/m1/s1
• Isómeros SMILES: CC(C)CSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
• PubChem CID: 123674
• Peso molecular: 339.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Nucleosides, nucleotides, and analogues
    • Clase 5'-deoxyribonucleosides
      • Subclass 5'-deoxy-5'-thionucleosides

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Clase: 5'-deoxyribonucleosides
• Subclass: 5'-deoxy-5'-thionucleosides
• Intermediate Tree Nodes: Not available
• Direct Parent: 5'-deoxy-5'-thionucleosides
• Alternative Parents: Glycosylamines 6-aminopurines Pentoses Aminopyrimidines and derivatives Imidolactams N-substituted imidazoles Tetrahydrofurans Heteroaromatic compounds 1,2-diols Secondary alcohols Dialkylthioethers Azacyclic compounds Sulfenyl compounds Oxacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Primary amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5'-deoxy-5'-thionucleoside - Glycosyl compound - N-glycosyl compound - 6-aminopurine - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Monosaccharide - N-substituted imidazole - Pyrimidine - Imidolactam - Azole - Tetrahydrofuran - Imidazole - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Azacycle - Oxacycle - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organopnictogen compound - Amine - Primary amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 5'-deoxy-5'-thionucleosides. These are 5'-deoxyribonucleosides in which the ribose is thio-substituted at the 5'position by a S-alkyl group.
• 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 (humanos)

MTAP Tchem S-methyl-5-thioadenosine phosphorylase (233 Activities)

Discover Target: MTAP

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

Objetivos asociados (no humanos)

Trichomonas vaginalis (2376 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 339.420 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 339.137 Da
• Monoisotopic Mass: 339.137 Da
• Topological Polar Surface Area: 145.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 405.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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