SIBA - ≥98% , CAS No.35899-54-8

CAS: 35899-54-8 Cat. No.: S412836 Formula: C₁₄H₂₁N₅O₃S Peso molecolare: 339.41 PubChem CID: 123674

GRADE & PURITY ≥98%

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 -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Information

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

Specifications

Sinonimi

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

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504756949
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756949
• Sorrisi canonici: 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
• Isomeri 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 molecolare: 339.41

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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

Obiettivi associati (non umani)

Trichomonas vaginalis (2376 Activities)

Explore this target

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 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