LCZ696雜質(zhì)
| 中文名稱 | LCZ696雜質(zhì) |
|---|---|
| 中文同義詞 | (2R,4S)-5-([1,1'-聯(lián)苯]-4-基)-4-(3-羧酰氨基)-2-甲基戊酸;LCZ-696雜質(zhì)1;LCZ696雜質(zhì)900-04;CU屈二酸;沙庫比曲雜質(zhì)4;沙庫必曲起始物料雜質(zhì)3;脫乙基沙庫巴曲;SACUBITRIL METABOLITE LBQ 657 |
| 英文名稱 | Sacubitril Impurity 7 |
| 英文同義詞 | (2R,4S)-4-(3-carboxypropanoylamino)-2-methyl-5-(4-phenylphenyl)pentanoic acid;LCZ696-4;Diacid of Sacubitril;LCZ-696 Impurity 1;Sacubitrilat (LBQ-657);Sacubitril Desethyl Impurity;LCZ696 Impurity 900-04;Deethyl Sakuba |
| CAS號 | 149709-44-4 |
| 分子式 | C22H25NO5 |
| 分子量 | 383.44 |
| EINECS號 | |
| 相關(guān)類別 | 雜質(zhì)對照品 |
| Mol文件 | 149709-44-4.mol |
| 結(jié)構(gòu)式 | ![]() |
LCZ696雜質(zhì) 性質(zhì)
| 沸點 | 705.4±60.0 °C(Predicted) |
|---|---|
| 密度 | 1+-.0.06 g/cm3(Predicted) |
| 儲存條件 | Sealed in dry,Room Temperature |
| 溶解度 | DMF:30.0(最大濃度 mg/mL);78.24(最大濃度 mM) DMSO:77.0(最大濃度 mg/mL);200.81(最大濃度 mM) 乙醇:77.0(最大濃度 mg/mL);200.81(最大濃度 mM) 乙醇:PBS (pH 7.2) (1:1):0.5(最大濃度 mg/mL);1.3(最大濃度 mM) |
| 形態(tài) | 結(jié)晶固體 |
| 酸度系數(shù)(pKa) | 4.59±0.23(Predicted) |
| 顏色 | 白色至米白色 |
| 旋光度 (Optical Rotation) | [α]/D -35 to -27°, c =1 in methanol |
| InChIKey | DOBNVUFHFMVMDB-BEFAXECRSA-N |
| SMILES | OC(CCC(N[C@H](CC1=CC=C(C2=CC=CC=C2)C=C1)C[C@H](C(O)=O)C)=O)=O |
| Target | Value |
|
NEP
() |
Sacubitrilat (LBQ657) is a single diastereomer with specific stereocenters. Sacubitrilat is bound to the active site of NEP by an intricate network of interactions that involves all functional groups of the compound giving rise to the high inhibitory potency of 5?nM.
Pharmacokinetics of Sacubitril, Sacubitrilat (LBQ657), and valsartan following the administration of single oral doses of LCZ696 400 or 1200 mg under fasting condition are summarized. The mean plasma concentrations of Sacubitril increases rapidly with a median T max of 0.52 h for the 400 mg dose and 1.05 h for the 1200 mg dose, followed by Sacubitrilat, with the corresponding T max values of 2.07 and 3.05 h, respectively. The median T max for valsartan is 2.07 h for both the LCZ696 400 mg and 1200 mg doses. The C max of Sacubitrilat shows a dose proportional increase, while the C max of Sacubitril and Valsartan shows less than proportional increases between the doses. The arithmetic mean AUC 0-24 h and AUC last for Sacubitril and Sacubitrilat increases approximately dose proportionally, but shows less than dose proportional increase for Valsartan.
安全信息
| WGK Germany | WGK 3 |
|---|---|
| 存儲類別 | 6.1C - 可燃,急性毒性 類別3 毒性化合物或者引起慢性影響的化合物 |
| 危險性類別 | 特異性靶器官毒性-反復(fù)接觸類別1 特異性靶器官毒性-一次接觸,類別3 |
| 更新日期 | 產(chǎn)品編號 | 產(chǎn)品名稱 | CAS號 | 包裝 | 價格 |
|---|---|---|---|---|---|
| 2026/07/06 | S3388 | LCZ696雜質(zhì) Sacubitrilat | 149709-44-4 | 5mg | 2203.11元 |
| 2026/07/06 | S3388 | LCZ696雜質(zhì) Sacubitrilat | 149709-44-4 | 25mg | 6609.33元 |
