Bivalirudin Des-Gly Fragment Trifluoroacetic Acid Salt (Impurity)

Ref. TR-B591660

Informations sur le produit

• Nom: Bivalirudin Des-Gly Fragment Trifluoroacetic Acid Salt (Impurity)
• Synonymes: D-Phenylalanyl-L-prolyl-L-arginyl-L-prolylglycylglycylglycylglycyl-L-asparaginyl-L-a-aspartyl-L-phenylalanyl-L-a-glutamyl-L-a-glutamyl-L-isoleucyl-L-prolyl-L-a-glutamyl-L-a-glutamyl-L-tyrosyl-L-leucine Trifluoroacetic Acid Salt

Description

Stability Hygroscopic
Applications Impurity of Bivalirudin, a direct thrombin inhibitor acting as an anticoagulant through inhibition of the enzyme thrombin.
References Bertrand, O. et al.: Am. J. Cardio., 110, 599 (2012); Patti, G. et al.: Am. J. Cardio., 110, 478 (2012);

• Marque: TRC

Propriétés chimiques

• Masse moléculaire: 2123.23
• Formule: C₉₆H₁₃₅N₂₃O₃₂•xC₂HF₃O₂
• Couleur/Forme: Neat
• InChI: InChI=1S/C96H133N23O31.C2HF3O2.H/c1-5-52(4)81(87(142)85(140)68-21-13-37-117(68)94(149)62(31-35-79(133)134)110-90(145)61(30-34-78(131)132)112-114-66(43-55-24-26-57(121)27-25-55)91(146)106-56(50-120)40-51(2)3)111-89(144)60(29-33-77(129)130)108-88(143)59(28-32-76(127)128)109-92(147)67(42-54-18-10-7-11-19-54)115-113-65(45-80(135)136)84(139)83(138)64(44-71(98)122)107-75(126)49-104-73(124)47-102-72(123)46-103-74(125)48-105-93(148)70-23-14-38-118(70)95(150)63(20-12-36-101-96(99)100)116-119-39-15-22-69(119)86(141)82(137)58(97)41-53-16-8-6-9-17-53;3-2(4,5)1(6)7;/h6-11,16-19,24-27,51-52,56,58-70,81,97,112-116,121H,5,12-15,20-23,28-49H2,1-4H3,(H2,98,122)(H,102,123)(H,103,125)(H,104,124)(H,105,148)(H,106,146)(H,107,126)(H,108,143)(H,109,147)(H,110,145)(H,111,144)(H,127,128)(H,129,130)(H,131,132)(H,133,134)(H,135,136)(H4,99,100,101);(H,6,7);/t52-,56-,58-,59-,60-,61-,62-,63-,64+,65-,66-,67-,68-,69-,70-,81-;;/m0../s1/i;;1+1
• Code InChI: InChIKey=BQCPJLHZGMEGEF-CZSBRWFLSA-N
• SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](CC(=O)O)C(=O)C(=O)[C@@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NN1CCC[C@H]1C(=O)C(=O)[C@@H]([NH])Cc1ccccc1)C(=O)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NN[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]([C]=O)CC(C)C.O=C(O)C(F)(F)F.[2H]