7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione
![7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione Structure](https://image.chemsrc.com/caspic/004/147700-41-2.png)
7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione structure
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Common Name | 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione | ||
|---|---|---|---|---|
| CAS Number | 147700-41-2 | Molecular Weight | 397.42800 | |
| Density | 1.31g/cm3 | Boiling Point | 616.7ºC at 760mmHg | |
| Molecular Formula | C20H23N5O4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 326.8ºC | |
Summary: 7-Methyl-8-[(E)-2-(3-Nitrophenyl)ethenyl]-1,3-Dipropylpurine-2,6-Dione, also known as 1,3-Dipropyl-7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]purine-2,6-dione, CAS number 147700-41-2, molecular formula C20H23N5O4, molecular weight 397.42800. 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 | 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.31g/cm3 |
|---|---|
| Boiling Point | 616.7ºC at 760mmHg |
| Molecular Formula | C20H23N5O4 |
| Molecular Weight | 397.42800 |
| Flash Point | 326.8ºC |
| Exact Mass | 397.17500 |
| PSA | 107.64000 |
| LogP | 3.31850 |
| Vapour Pressure | 3.86E-15mmHg at 25°C |
| Index of Refraction | 1.636 |
| InChIKey | FSQZXSLHVPLXTR-MDZDMXLPSA-N |
| SMILES | CCCn1c(=O)c2c(nc(C=Cc3cccc([N+](=O)[O-])c3)n2C)n(CCC)c1=O |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~70%
7-methyl-8-[(E)... CAS#:147700-41-2 |
| Literature: Kyowa Hakko Kogyo Co., Ltd. Patent: US5543415 A1, 1996 ; |
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~%
7-methyl-8-[(E)... CAS#:147700-41-2 |
| Literature: Jacobson; Gallo-Rodriguez; Melman; Fischer; Maillard; Van Bergen; Van Galen; Karton Journal of Medicinal Chemistry, 1993 , vol. 36, # 10 p. 1333 - 1342 |
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~%
7-methyl-8-[(E)... CAS#:147700-41-2 |
| Literature: Jacobson; Gallo-Rodriguez; Melman; Fischer; Maillard; Van Bergen; Van Galen; Karton Journal of Medicinal Chemistry, 1993 , vol. 36, # 10 p. 1333 - 1342 |
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~%
7-methyl-8-[(E)... CAS#:147700-41-2 |
| Literature: Jacobson; Gallo-Rodriguez; Melman; Fischer; Maillard; Van Bergen; Van Galen; Karton Journal of Medicinal Chemistry, 1993 , vol. 36, # 10 p. 1333 - 1342 |
![8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione structure](https://image.chemsrc.com/caspic/086/151539-32-1.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Affinity against Adenosine A1 receptor in rat brain using [3H]- PIA as radioligand
Source: ChEMBL
Target: Adenosine receptor A1
External Id: CHEMBL641041
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Name: Binding affinity against adenosine A2 receptor in rat brain using [3H]- CGS 21680 as ...
Source: ChEMBL
Target: Adenosine receptor A2a
External Id: CHEMBL648802
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Name: Ratio between Ki of adenosine A1 receptor to that of adenosine A2 receptor
Source: ChEMBL
Target: Adenosine receptors; A1 & A2
External Id: CHEMBL850370
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This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione? |
| A: Boiling point of 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione is 616.7ºC at 760mmHg. |
| Q: What is the polar surface area (PSA) of 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione? |
| A: Polar surface area (PSA) of 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione is 107.64000. |
| Q: What is the InChIKey of 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione? |
| A: InChIKey of 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione is FSQZXSLHVPLXTR-MDZDMXLPSA-N. |
| Q: What is the molecular weight of 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione? |
| A: Molecular weight of 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione is 397.42800. |
| Q: What is the English name of 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione? |
| A: The English name of 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione is 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione. |
| Q: What is the Chinese name of 147700-41-2? |
| A: Chinese name of 147700-41-2 is 147700-41-2. |
| Q: What is the SMILES notation of 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione? |
| A: SMILES notation of 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione is CCCn1c(=O)c2c(nc(C=Cc3cccc([N+](=O)[O-])c3)n2C)n(CCC)c1=O. |
| Q: What is the LogP of 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione? |
| A: LogP of 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione is 3.31850. |
| Q: What is the CAS number of 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione? |
| A: CAS number of 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione is 147700-41-2. |
| Q: What are the upstream materials of 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione? |
| A: Related upstream materials(CAS) of 7-methyl-8-[(E)-2-(3-nitrophenyl)ethenyl]-1,3-dipropylpurine-2,6-dione: 151539-32-1;74-88-4;81250-34-2;555-68-0. |