Ganirelix acetate

• CAT Number: M114172
• CAS Number: 129311-55-3
• Molecular Formula: C84H121ClN18O17
• Molecular Weight: 1690.451
• Purity: ≥95%
• Storage: -20°C
• IUPAC Name: (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-[bis(ethylamino)methylideneamino]hexanoyl]amino]-4-methylpentanoyl]amino]-6-[bis(ethylamino)methylideneamino]hexanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide;acetic acid
• InChI: InChI=1S/C80H113ClN18O13.2C2H4O2/c1-9-84-79(85-10-2)88-38-17-15-24-60(70(104)94-62(41-49(5)6)71(105)93-61(25-16-18-39-89-80(86-11-3)87-12-4)78(112)99-40-20-26-68(99)77(111)90-50(7)69(82)103)92-73(107)64(44-53-30-35-59(102)36-31-53)97-76(110)67(48-100)98-75(109)66(46-55-21-19-37-83-47-55)96-74(108)65(43-52-28-33-58(81)34-29-52)95-72(106)63(91-51(8)101)45-54-27-32-56-22-13-14-23-57(56)42-54;2*1-2(3)4/h13-14,19,21-23,27-37,42,47,49-50,60-68,100,102H,9-12,15-18,20,24-26,38-41,43-46,48H2,1-8H3,(H2,82,103)(H,90,111)(H,91,101)(H,92,107)(H,93,105)(H,94,104)(H,95,106)(H,96,108)(H,97,110)(H,98,109)(H2,84,85,88)(H2,86,87,89);2*1H3,(H,3,4)/t50-,60-,61+,62+,63-,64+,65-,66-,67+,68+;;/m1../s1
• InChIKey: OVBICQMTCPFEBS-SATRDZAXSA-N
• SMILES: CCNC(=NCCCCC(C(=O)NC(CC(C)C)C(=O)NC(CCCCN=C(NCC)NCC)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CN=CC=C3)NC(=O)C(CC4=CC=C(C=C4)Cl)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)NC(=O)C)NCC.CC(=O)O.CC(=O)O

Ganirelix acetate(CAT: M114172) is a gonadotropin-releasing hormone receptor (GNRHR) antagonist. Formulations containing ganirelix have been used to prevent premature ovulation in women undergoing in vitro fertilization. This product is used for medical research and development and other scientific research purposes.

Reference

1.Jiang, Guangcheng, et al. "GnRH antagonists: a new generation of long acting analogues incorporating p-ureido-phenylalanines at positions 5 and 6." Journal of medicinal chemistry 44.3 (2001): 453-467.
2.Broqua, Pierre, et al. "Pharmacological profile of a new, potent, and long-acting gonadotropin-releasing hormone antagonist: degarelix." Journal of Pharmacology and Experimental Therapeutics 301.1 (2002): 95-102.
3.Lebovic, Dan I., et al. "PPAR-gamma receptor ligand induces regression of endometrial explants in baboons: a prospective, randomized, placebo-and drug-controlled study." Fertility and sterility 88.4 (2007): 1108-1119.