SIBA - ≥98% , CAS No.35899-54-8

CAS: 35899-54-8 Cat. No.: S412836 分子式: C₁₄H₂₁N₅O₃S 分子量: 339.41 PubChem CID: 123674

グレード＆純度 ≥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

概要

Information

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

仕様

同義語

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

仕様と純度

≥98%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

パブケム・シド

504756949

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504756949

カノニカル・スマイル

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

異性体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

分子量

339.41

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Nucleosides, nucleotides, and analogues
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

Trichomonas vaginalis (2376 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 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