CAS: 1007882-23-6; Bis(2-Methyl-2-Propanyl) (2S,2'S)-2,2'-[4,4'-Biphenyldiylbis(1H-Imidazole-4,2-Diyl)]Di(1-Pyrrolidinecarboxylate)

• 英文名称Bis(2-Methyl-2-Propanyl) (2S,2'S)-2,2'-[4,4'-Biphenyldiylbis(1H-Imidazole-4,2-Diyl)]Di(1-Pyrrolidinecarboxylate)
• 中文名称达卡他韦中间体
• IUPAC名称di-tert-butyl 2,2'-([1,1'-biphenyl]-4,4'-diylbis(1H-imidazole-4,2-diyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate)
• 其它别名(2S,2'S)-2,2'-[(1,1'-Biphenyl)-4,4'-Diyldi-1H-Imidazole-5,2-Diyl]Bis-1-Pyrrolidinecarboxylic Acid ,1,1'-Bis(1,1-Dimethylethyl) Ester; Daclatasvir Intermediates ⅱ; Dacaltasvir Intermediate 02; Daclatasvir Intermediates; Di-Tert-Butyl2,2'-([1,1'-Biphenyl]-4,4'-Diylbis(1H-Imidazole-5,2-Diyl))(2S,2'S)-Bis(Pyrrolidine-1-Carboxylate); Methyl-N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(Methoxycarbonylamino)-3-Methylbutanoyl]Pyrrolidin-2-Yl]-1H-Imidazol-5-Yl]Phenyl]Phenyl]-1H-Imidazol-2-Yl]Pyrrolidin-1-Yl]-3-Methyl-1-Oxobutan-2-Yl]Carbamate; Daclatasvir Intermediates 4; Bis(2-Methyl-2-Propanyl) (2S,2'S)-2,2'-[4,4'-Biphenyldiylbis(1H-Imidazole-4,2-Diyl)]Di(1-Pyrrolidinecarboxylate)
• CAS编号1007882-23-6
• MFCD编号:MFCD28404669
• 分子式:C36H44N6O4
• 分子量:624.79
• 产品CID: 18264
• 产品分类有机原料 → 羧酸类化合物及衍生物

• 相似结构搜索
• InChIKey: WPMTYMFNINZZHE-KYJUHHDHSA-N
• WPMTYMFNINZZHE-WBOANQFRNA-N…
• 计算化学: 氢键受体数6.0氢键供体数2.0可旋转键数9.0

物理性质

• 沸点890.2±65.0 °C(预测)
• 密度1.220±0.06 g/cm3(预测)
• pKa:12.83±0.10(预测)
• PSA:116.44
• LogP:8.1536
• 溶解性DMSO (Slightly), Methanol (Slightly)
• 外观形态白色至类白色固体
• 储存条件2-8°C
• 产品应用该化合物用于治疗丙型肝炎的药物候选物.

MSDS等安全信息

• GHS符号GHS07,GHS03
• 警示词Danger
• 危险描述H315-H319-H272
• 防范说明P501-P220-P210-P221-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313

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其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
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• ➥ REACH监管