5-((2-(azepan-1-yl)-2-oxoethyl)thio)-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Modify Date: 2025-09-12 18:32:12
![5-((2-(azepan-1-yl)-2-oxoethyl)thio)-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione Structure](https://www.chemsrc.com/extcaspic/104/852169-69-8.png)
5-((2-(azepan-1-yl)-2-oxoethyl)thio)-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione structure
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Common Name | 5-((2-(azepan-1-yl)-2-oxoethyl)thio)-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione | ||
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| CAS Number | 852169-69-8 | Molecular Weight | 457.5 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C22H24FN5O3S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 5-((2-(azepan-1-yl)-2-oxoethyl)thio)-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
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This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C22H24FN5O3S |
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| Molecular Weight | 457.5 |
| InChIKey | XCEVMEYSECFXNO-UHFFFAOYSA-N |
| SMILES | Cn1c(=O)c2c(SCC(=O)N3CCCCCC3)nc(-c3ccc(F)cc3)nc2n(C)c1=O |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Small-molecule inhibitors of ST2 (IL1RL1)
Source: 20881
Target: interleukin-1 receptor-like 1 isoform [homo sapiens]
External Id: ST2_IL33_Inhibitors_Primary_Screening_77700
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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 Chinese name of 852169-69-8? |
| A: Chinese name of 852169-69-8 is 852169-69-8. |
| Q: What is the molecular weight of 5-((2-(azepan-1-yl)-2-oxoethyl)thio)-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione? |
| A: Molecular weight of 5-((2-(azepan-1-yl)-2-oxoethyl)thio)-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 457.5. |
| Q: What is the molecular formula of 5-((2-(azepan-1-yl)-2-oxoethyl)thio)-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione? |
| A: Molecular formula of 5-((2-(azepan-1-yl)-2-oxoethyl)thio)-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is C22H24FN5O3S. |
| Q: What is the SMILES notation of 5-((2-(azepan-1-yl)-2-oxoethyl)thio)-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione? |
| A: SMILES notation of 5-((2-(azepan-1-yl)-2-oxoethyl)thio)-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is Cn1c(=O)c2c(SCC(=O)N3CCCCCC3)nc(-c3ccc(F)cc3)nc2n(C)c1=O. |
| Q: What is the English name of 5-((2-(azepan-1-yl)-2-oxoethyl)thio)-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione? |
| A: The English name of 5-((2-(azepan-1-yl)-2-oxoethyl)thio)-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 5-((2-(azepan-1-yl)-2-oxoethyl)thio)-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione. |
| Q: What is the InChIKey of 5-((2-(azepan-1-yl)-2-oxoethyl)thio)-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione? |
| A: InChIKey of 5-((2-(azepan-1-yl)-2-oxoethyl)thio)-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is XCEVMEYSECFXNO-UHFFFAOYSA-N. |
| Q: What is the CAS number of 5-((2-(azepan-1-yl)-2-oxoethyl)thio)-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione? |
| A: CAS number of 5-((2-(azepan-1-yl)-2-oxoethyl)thio)-7-(4-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione is 852169-69-8. |