1,3,7-trimethyl-8-phenethyloxy-purine-2,6-dione
1,3,7-trimethyl-8-phenethyloxy-purine-2,6-dione structure
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Common Name | 1,3,7-trimethyl-8-phenethyloxy-purine-2,6-dione | ||
|---|---|---|---|---|
| CAS Number | 5415-84-9 | Molecular Weight | 314.33900 | |
| Density | 1.3g/cm3 | Boiling Point | 510.3ºC at 760 mmHg | |
| Molecular Formula | C16H18N4O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 262.4ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1,3,7-trimethyl-8-(2-phenylethoxy)purine-2,6-dione |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.3g/cm3 |
|---|---|
| Boiling Point | 510.3ºC at 760 mmHg |
| Molecular Formula | C16H18N4O3 |
| Molecular Weight | 314.33900 |
| Flash Point | 262.4ºC |
| Exact Mass | 314.13800 |
| PSA | 71.05000 |
| LogP | 0.59220 |
| Index of Refraction | 1.635 |
| InChIKey | XEJFGTMHCXBIOL-UHFFFAOYSA-N |
| SMILES | Cn1c(=O)c2c(nc(OCCc3ccccc3)n2C)n(C)c1=O |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~39%
1,3,7-trimethyl... CAS#:5415-84-9 |
| Literature: Strydom, Belinda; Bergh, Jacobus J.; Petzer, Jacobus P. European Journal of Medicinal Chemistry, 2011 , vol. 46, # 8 p. 3474 - 3485 |
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~%
1,3,7-trimethyl... CAS#:5415-84-9 |
| Literature: Strydom, Belinda; Bergh, Jacobus J.; Petzer, Jacobus P. European Journal of Medicinal Chemistry, 2011 , vol. 46, # 8 p. 3474 - 3485 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
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| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ...
Source: ChEMBL
Target: Klebsiella pneumoniae
External Id: CHEMBL4296186
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: Identifying Sarm1 TIR NADase inhibitors through high throughput HPLC assay
Source: 24386
Target: N/A
External Id: Sarm1 TIR NADase inhibitors
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1,3,7-trimethyl-8-phenethyloxy-3,7-dihydro-purine-2,6-dione |
| 1,3,7-trimethyl-8-phenethyloxypurine-2,6-dione |
| 1,3,7-Trimethyl-8-phenaethyloxy-3,7-dihydro-purin-2,6-dion |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 1,3,7-trimethyl-8-(2-phenylethoxy)purine-2,6-dione? |
| A: The English name of 1,3,7-trimethyl-8-(2-phenylethoxy)purine-2,6-dione is 1,3,7-trimethyl-8-(2-phenylethoxy)purine-2,6-dione. |
| Q: What English synonyms does 1,3,7-trimethyl-8-(2-phenylethoxy)purine-2,6-dione have? |
| A: English synonyms of 1,3,7-trimethyl-8-(2-phenylethoxy)purine-2,6-dione: 1,3,7-trimethyl-8-phenethyloxy-3,7-dihydro-purine-2,6-dione, 1,3,7-trimethyl-8-phenethyloxypurine-2,6-dione, 1,3,7-Trimethyl-8-phenaethyloxy-3,7-dihydro-purin-2,6-dion. |
| Q: What is the InChIKey of 1,3,7-trimethyl-8-(2-phenylethoxy)purine-2,6-dione? |
| A: InChIKey of 1,3,7-trimethyl-8-(2-phenylethoxy)purine-2,6-dione is XEJFGTMHCXBIOL-UHFFFAOYSA-N. |
| Q: What is the LogP of 1,3,7-trimethyl-8-(2-phenylethoxy)purine-2,6-dione? |
| A: LogP of 1,3,7-trimethyl-8-(2-phenylethoxy)purine-2,6-dione is 0.59220. |
| Q: What is the Chinese name of 5415-84-9? |
| A: Chinese name of 5415-84-9 is 5415-84-9. |
| Q: What is the CAS number of 1,3,7-trimethyl-8-(2-phenylethoxy)purine-2,6-dione? |
| A: CAS number of 1,3,7-trimethyl-8-(2-phenylethoxy)purine-2,6-dione is 5415-84-9. |
| Q: What is the molecular weight of 1,3,7-trimethyl-8-(2-phenylethoxy)purine-2,6-dione? |
| A: Molecular weight of 1,3,7-trimethyl-8-(2-phenylethoxy)purine-2,6-dione is 314.33900. |
| Q: What is the boiling point of 1,3,7-trimethyl-8-(2-phenylethoxy)purine-2,6-dione? |
| A: Boiling point of 1,3,7-trimethyl-8-(2-phenylethoxy)purine-2,6-dione is 510.3ºC at 760 mmHg. |
| Q: What is the molecular formula of 1,3,7-trimethyl-8-(2-phenylethoxy)purine-2,6-dione? |
| A: Molecular formula of 1,3,7-trimethyl-8-(2-phenylethoxy)purine-2,6-dione is C16H18N4O3. |
| Q: What are the upstream materials of 1,3,7-trimethyl-8-(2-phenylethoxy)purine-2,6-dione? |
| A: Related upstream materials(CAS) of 1,3,7-trimethyl-8-(2-phenylethoxy)purine-2,6-dione: 60-12-8;4921-49-7;58-08-2. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |