Abarelix Trifluoroacetate Salt (~90%)

CAS: 183552-38-7

Ref. TR-A107225

Product Information

• Name: Abarelix Trifluoroacetate Salt (~90%)
• Synonyms: N-Acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-N-methyl-L-tyrosyl-D-asparaginyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl-D-alaninamide trifluoroacetate salt, 17: PN: WO2007012430 SEQID: 19 claimed protein trifluoroacetate salt, 1: PN: WO02056903 PAGE: 25 claimed protein trifluoroacetate salt, 5: PN: WO0018423 PAGE: 26 claimed protein trifluoroacetate salt, Abarelix trifluoroacetate salt, PPI 149 trifluoroacetate salt, Plenaxis trifluoroacetate salt, R 3827 trifluoroacetate salt, Abarelix TFA, Ppi-149, Abarelix Acetate

Description

Applications Abarelix TFA salt is a drug to treat patients with androgen-independent prostate cancer which results in reduction of circulating FSH (follicle-stimulating hormone).
References Beer, T. M., et al.: Urology, 63, 342 (2004);

• Brand: TRC

Chemical properties

• Molecular weight: 1416.06 + x(114.02)
• Formula: C₇₂H₉₅ClN₁₄O₁₄·x(C₂HF₃O₂)
• Purity: ~90%
• Color/Form: Neat
• InChI: InChI=1S/C72H95ClN14O14.C2HF3O2/c1-41(2)32-54(64(93)80-53(17-10-11-30-77-42(3)4)72(101)87-31-13-18-60(87)69(98)78-43(5)63(75)92)81-68(97)58(38-62(74)91)84-70(99)61(37-46-22-27-52(90)28-23-46)86(7)71(100)59(40-88)85-67(96)57(36-48-14-12-29-76-39-48)83-66(95)56(34-45-20-25-51(73)26-21-45)82-65(94)55(79-44(6)89)35-47-19-24-49-15-8-9-16-50(49)33-47;3-2(4,5)1(6)7/h8-9,12,14-16,19-29,33,39,41-43,53-61,77,88,90H,10-11,13,17-18,30-32,34-38,40H2,1-7H3,(H2,74,91)(H2,75,92)(H,78,98)(H,79,89)(H,80,93)(H,81,97)(H,82,94)(H,83,95)(H,84,99)(H,85,96);(H,6,7)/t43-,53+,54+,55-,56-,57-,58-,59+,60+,61+;/m1./s1
• InChI key: InChIKey=FACCAOLWMFUXFJ-JOOIWXSYSA-N
• SMILES: CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O.O=C(O)C(F)(F)F