Cetrorelix (acetate)

Cetrorelix is a synthetic peptide antagonist of the gonadotropin-releasing hormone receptor (GnRHR) with a Kd value of 0.2 nM for radioligand binding to murine LTK- cells expressing human GnRHR. It inhibits the activation of hGnRHR and a downstream luciferase reporter gene in murine LTK- cells by the GnRHR agonist [D-Trp6]GnRH (IC50 = 1.2 nM). In vivo, cetrorelix (60 µg per day) reduces tumor volume to 35% of control and decreases serum luteinizing hormone levels by 50% in a human epithelial ovarian cancer mouse xenograft model. Centrorelix (0.5 mg/kg) protects the primordial follicles (PMF) in mouse ovaries from damage induced by cyclophosphamide (Cay-13849) with 65% to 86% PMF survival compared to 46% PMF survival with a saline control. Formulations containing cetrorelix have been used to prevent ovulation during in vitro fertilization.Formal Name: N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N5-(aminocarbonyl)-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-D-alaninamide, acetate. CAS Number: 145672-81-7. Synonyms: SB-75. Molecular Formula: C70H92ClN17O14 . XC2H4O2. Formula Weight: 1431.1. Purity: >95%. Formulation: (Request formulation change), A solid. Solubility: DMSO: Slightly Soluble, Methanol: Slightly Soluble. SMILES: O=C(C)N[C@@H](C(N[C@H](CC1=CC=C(Cl)C=C1)C(N[C@H](CC2=CC=CN=C2)C(N[C@@H](CO)C(N[C@@H](CC3=CC=C(O)C=C3)C(N[C@H](CCCNC(N)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N4C(C(N[C@H](C)C(N)=O)=O)CCC4)=O)=O)=O)=O)=O)=O)=O)=O)CC5=CC6=CC=CC=C6C=C5.OC(C)=O. InChi Code: InChI=1S/C70H92ClN17O14.C2H4O2/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44,1-2(3)4/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102),1H3,(H,3,4)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58?,/m1./s1. InChi Key: KFEFLCOCAHJBEA-PNZHXRLMSA-N.