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Basic Description
| Synonyms | 9-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3H-purine-6-thione | NCGC00246923-01 | DTXSID00974111 | 2',3'-O-Isopropylidene-6-thioinosine | 6-Mercapto-9-(2,3-O-isopropylidine-b-D-ribofuranosyl)purine | EINECS 227-474- |
|---|---|
| Specifications & Purity | ≥95% |
| Storage Temp | Store at -20°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
2′,3′-O-Isopropylidene-6-mercaptopurine riboside can be used to study metal complexing mechanisms. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Nucleosides, nucleotides, and analogues
- Class Purine nucleosides
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Superclass
Nucleosides, nucleotides, and analogues
| Kingdom | Organic compounds |
|---|---|
| Superclass | Nucleosides, nucleotides, and analogues |
| Class | Purine nucleosides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Purine nucleosides |
| Alternative Parents | Purinethiones Pyrimidinethiones Ketals N-substituted imidazoles Monosaccharides Oxolanes Heteroaromatic compounds 1,3-dioxolanes Oxacyclic compounds Azacyclic compounds Primary alcohols Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Purine nucleoside - Purinethione - Imidazopyrimidine - Purine - Ketal - Pyrimidinethione - Monosaccharide - N-substituted imidazole - Pyrimidine - Heteroaromatic compound - Azole - Imidazole - Oxolane - Meta-dioxolane - Oxacycle - Azacycle - Organoheterocyclic compound - Acetal - Alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Primary alcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. |
| External Descriptors | Not available |
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Associated Targets(Human)
ALDH1A1
Tchem
Aldehyde dehydrogenase 1A1 (77053 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
HEK293 (82097 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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KDM4A
Tchem
Lysine-specific demethylase 4A (52245 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
EHMT2
Tchem
Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
TDP1
Tchem
Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
LMNA
Tbio
Prelamin-A/C (36751 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
GMNN
Tbio
Geminin (128009 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CBX1
Tbio
Chromobox protein homolog 1 (92434 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ATAD5
Tbio
ATPase family AAA domain-containing protein 5 (122566 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Pseudomonas aeruginosa (123386 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Klebsiella pneumoniae (43867 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Staphylococcus aureus (210822 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Acinetobacter baumannii (41033 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Escherichia coli (133304 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Cryptococcus neoformans (21258 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Candida albicans (78123 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
CHO (4503 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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fba
Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ffp
4'-phosphopantetheinyl transferase ffp (24982 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488194214 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194214 |
| IUPAC Name | 9-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-3H-purine-6-thione |
| INCHI | InChI=1S/C13H16N4O4S/c1-13(2)20-8-6(3-18)19-12(9(8)21-13)17-5-16-7-10(17)14-4-15-11(7)22/h4-6,8-9,12,18H,3H2,1-2H3,(H,14,15,22) |
| InChIKey | HXZCOKXEDYVENB-UHFFFAOYSA-N |
| Smiles | CC1(OC2C(OC(C2O1)N3C=NC4=C3NC=NC4=S)CO)C |
| Isomeric SMILES | CC1(OC2C(OC(C2O1)N3C=NC4=C3NC=NC4=S)CO)C |
| WGK Germany | 3 |
| PubChem CID | 3034499 |
| Molecular Weight | 324.36 |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2321582 |
Certificate of Analysis | Mar 09, 2023 | O352522 |
| C2321657 |
Certificate of Analysis | Mar 09, 2023 | O352522 |
| C2321658 |
Certificate of Analysis | Mar 09, 2023 | O352522 |
| C2321584 |
Certificate of Analysis | Mar 09, 2023 | O352522 |
| C2321659 |
Certificate of Analysis | Mar 09, 2023 | O352522 |
| C2321662 |
Certificate of Analysis | Mar 09, 2023 | O352522 |
Chemical and Physical Properties
| Refractive Index | n20D1.80 (Predicted) |
|---|---|
| Boil Point(°C) | ~551.8° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 263-265° C |
| Molecular Weight | 324.360 g/mol |
| XLogP3 | -0.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 324.089 Da |
| Monoisotopic Mass | 324.089 Da |
| Topological Polar Surface Area | 122.000 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 516.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
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