9H-purine-2,6-dithiol
9H-purine-2,6-dithiol structure
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Common Name | 9H-purine-2,6-dithiol | ||
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| CAS Number | 5437-25-2 | Molecular Weight | 184.24 | |
| Density | 1.8±0.1 g/cm3 | Boiling Point | 496.2±37.0 °C at 760 mmHg | |
| Molecular Formula | C5H4N4S2 | Melting Point | >350 °C(lit.) | |
| MSDS | N/A | Flash Point | 253.9±26.5 °C | |
Use of 9H-purine-2,6-dithiol2,6-Dithiopurine (2,6-Dimercaptopurine) is a nucleophilic scavenger for electrophilic carcinogens. 2,6-Dithiopurine abolishes both DNA adduct formation and the initiation of carcinogenesis[1]. |
Summary: 2,6-Dithiopurine (CAS: 5437-25-2) is a pale yellow powder with molecular formula C5H4N4S2 and molecular weight 184.24. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2,6-Dithiopurine |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | 2,6-Dithiopurine (2,6-Dimercaptopurine) is a nucleophilic scavenger for electrophilic carcinogens. 2,6-Dithiopurine abolishes both DNA adduct formation and the initiation of carcinogenesis[1]. |
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| Related Catalog | |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.8±0.1 g/cm3 |
|---|---|
| Boiling Point | 496.2±37.0 °C at 760 mmHg |
| Melting Point | >350 °C(lit.) |
| Molecular Formula | C5H4N4S2 |
| Molecular Weight | 184.24 |
| Flash Point | 253.9±26.5 °C |
| Exact Mass | 183.987732 |
| PSA | 132.06000 |
| LogP | -0.60 |
| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
| Index of Refraction | 1.890 |
| InChIKey | VQPMXSMUUILNFZ-UHFFFAOYSA-N |
| SMILES | S=c1[nH]c(=S)c2[nH]cnc2[nH]1 |
| Storage condition | −20°C |
| Water Solubility | slightly soluble |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Safety Phrases | S24/25 |
|---|---|
| WGK Germany | 3 |
| RTECS | UO8475000 |
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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9H-purine-2,6-d... CAS#:5437-25-2 |
| Literature: Journal of the American Chemical Society, , vol. 76, p. 5633,5635,5636 |
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9H-purine-2,6-d... CAS#:5437-25-2 |
| Literature: Journal of the American Chemical Society, , vol. 76, p. 5087 |
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9H-purine-2,6-d... CAS#:5437-25-2 |
| Literature: Zhurnal Obshchei Khimii, , vol. 27, p. 1712,1715;engl.Ausg.S.1783,1785 |
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9H-purine-2,6-d... CAS#:5437-25-2 |
| Literature: Zhurnal Obshchei Khimii, , vol. 27, p. 1712,1715;engl.Ausg.S.1783,1785 |
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9H-purine-2,6-d... CAS#:5437-25-2 |
| Literature: Zhurnal Obshchei Khimii, , vol. 27, p. 1712,1715;engl.Ausg.S.1783,1785 |
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9H-purine-2,6-d... CAS#:5437-25-2 |
| Literature: US2697709 , ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
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| DownStream 7 | |
CAS#:120-73-0
CAS#:1196-41-4
CAS#:28128-25-8
CAS#:1201-58-7
CAS#:89178-21-2
CAS#:39008-22-5
CAS#:39008-21-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1):...
Source: NCGC
Target: thioredoxin reductase [Rattus norvegicus]
External Id: TRXR101
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Name: qHTS for Inhibitors of Polymerase Iota
Source: NCGC
Target: DNA polymerase iota [Homo sapiens]
External Id: PolI100
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
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Name: qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: mCherry Reporter Primar...
Source: NCGC
Target: 67.9K protein [Vaccinia virus]
External Id: Vaccinia-p2mCherry
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
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Name: qHTS for Inhibitors of Polymerase Kappa
Source: NCGC
Target: DNA polymerase kappa [Homo sapiens]
External Id: PolK100
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Name: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1):...
Source: NCGC
Target: thioredoxin reductase [Rattus norvegicus]
External Id: TRXR100
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Name: qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: Venus Reporter Primary ...
Source: NCGC
Target: 67.9K protein [Vaccinia virus]
External Id: Vaccinia-p2Venus
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Name: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen
Source: NCGC
Target: N/A
External Id: SMAD3201
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00022644 |
| 9H-purine-2,6-dithiol |
| EINECS 226-608-8 |
| 3,7-dihydropurine-2,6-dithione |
| 6-Sulfanyl-1,9-dihydro-2H-purine-2-thione |
| 3,7-Dihydro-1H-purine-2,6-dithione |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: How is the water solubility of 2,6-Dithiopurine? |
| A: Water solubility of 2,6-Dithiopurine: slightly soluble. |
| Q: What is the molecular weight of 2,6-Dithiopurine? |
| A: Molecular weight of 2,6-Dithiopurine is 184.24. |
| Q: What is the SMILES notation of 2,6-Dithiopurine? |
| A: SMILES notation of 2,6-Dithiopurine is S=c1[nH]c(=S)c2[nH]cnc2[nH]1. |
| Q: What is the LogP of 2,6-Dithiopurine? |
| A: LogP of 2,6-Dithiopurine is -0.60. |
| Q: What is the CAS number of 2,6-Dithiopurine? |
| A: CAS number of 2,6-Dithiopurine is 5437-25-2. |
| Q: What is the melting point of 2,6-Dithiopurine? |
| A: Melting point of 2,6-Dithiopurine is >350 °C(lit.). |
| Q: What is the molecular formula of 2,6-Dithiopurine? |
| A: Molecular formula of 2,6-Dithiopurine is C5H4N4S2. |
| Q: What are the storage conditions for 2,6-Dithiopurine? |
| A: Storage conditions for 2,6-Dithiopurine: −20°C. |
| Q: What are the uses of 2,6-Dithiopurine? |
| A: Main uses of 2,6-Dithiopurine: 2,6-Dithiopurine (2,6-Dimercaptopurine) is a nucleophilic scavenger for electrophilic carcinogens. 2,6-Dithiopurine abolishes both DNA adduct formation and the initiation of carcinogenesis[1]. |
| Q: What are the upstream materials of 2,6-Dithiopurine? |
| A: Related upstream materials(CAS) of 2,6-Dithiopurine: 2487-40-3;64-18-6;31295-41-7;98027-95-3;2562-52-9;13548-68-0;5451-40-1. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |