7-(4-chlorophenyl)-1,3-dimethyl-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-(1,3)diazino(4,5-d)pyrimidine-2,4-dione
基本情報
- CAS
488097-06-9- 標準SMILES
Cn1c2c(c(=O)n(C)c1=O)C(C(F)(F)F)(C(F)(F)F)N=C(c1ccc(Cl)cc1)N2- InChIKey
MFEIZMHODFOWAT-UHFFFAOYSA-N- 分子式
- C16H11ClF6N4O2
- 平均分子量
- 440.73 g/mol
- 単同位体質量
- 440.0474723
名称と識別子
- 優先名称
- 7-(4-chlorophenyl)-1,3-dimethyl-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-(1,3)diazino(4,5-d)pyrimidine-2,4-dione
- IUPAC
- 7-(4-chlorophenyl)-1,3-dimethyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
- 英語名
- 7-(4-chlorophenyl)-1,3-dimethyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
- 分子式
- C16H11ClF6N4O2
- 分子量
- 440.7275592
名称と別名
488097-06-97-(4-chlorophenyl)-1,3-dimethyl-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione7-(4-chlorophenyl)-1,3-dimethyl-5,5-bis(trifluoromethyl)-1H,2H,3H,4H,5H,8H-(1,3)diazino(4,5-d)pyrimidine-2,4-dioneRefChem:545137963-629-8GLP-1R Antagonist 1VU 06509917-(4-chlorophenyl)-1,3-dimethyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dioneMLS000581848CHEMBL1341270ZINC173598657-(4-chlorophenyl)-1,3-dimethyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
名称をさらに表示
GLP-1R Antagonist 1, 10 mM in DMSOGLP 1R Antagonist 1,GLP1R Antagonist 1Pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 7-(4-chlorophenyl)-5,8-dihydro-1,3-dimethyl-5,5-bis(trifluoromethyl)-
7-(4-Chlorophenyl)-5,8-dihydro-1,3-dimethyl-5,5-bis(trifluoromethyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dioneSMR000200452C16H11ClF6N4O2VU0650991orb1707267SCHEMBL21122118BDBM41614cid_1941609
物性
構造計算による物性
- XLogP
- 2.8
- 極性表面積
- 65 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 9
- 回転可能結合数
- 1
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 784
物理化学的性質
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- Soluble in DMSO
- 外見
- Solid
- 色
- White to light yellow
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
関連反応
0 件
現在のフィルター条件では反応記録がありません。
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