Scyliorhinin I (dogfish) (trifluoroacetate salt)

An NK1 and NK2 receptor peptide agonist, binds to membrane preparations of rat submandibular gland and hamster urinary bladder (Kis = 0.9 and 2 nM, respectively), tissues that endogenously express high levels of NK1 and NK2 receptors, respectively, increases intracellular levels of IP3 in KNRK rat kidney cells expressing the NK1 receptor at 1 µM, induces contractions in isolated and perfused carp intestinal bulb smooth muscle strips (EC50 = 15 nM), induces reciprocal hindlimb neck-scratching behavior in mice (ED50s = 0.07 and 0.05 nmol/animal, i.t. and i.c.v., respectively). Formulation: A solid. InChI: InChI=1S/C59H87N13O13S.C2HF3O2/c1-35(2)29-44(56(82)66-41(51(63)77)25-28-86-4)65-49(74)34-64-53(79)45(32-39-21-23-40(73)24-22-39)69-57(83)46(30-37-15-7-5-8-16-37)71-55(81)43(20-12-14-27-61)68-59(85)48(33-50(75)76)72-58(84)47(31-38-17-9-6-10-18-38)70-54(80)42(19-11-13-26-60)67-52(78)36(3)62,3-2(4,5)1(6)7/h5-10,15-18,21-24,35-36,41-48,73H,11-14,19-20,25-34,60-62H2,1-4H3,(H2,63,77)(H,64,79)(H,65,74)(H,66,82)(H,67,78)(H,68,85)(H,69,83)(H,70,80)(H,71,81)(H,72,84)(H,75,76),(H,6,7)/t36-,41-,42-,43-,44-,45-,46-,47-,48-,/m0./s1. InChIKey: CZNVDLZRNPMQOJ-QCZWRTFKSA-N. SMILES: OC(C=C1)=CC=C1C[C@@H](C(NCC(N[C@@H](CC(C)C)C(N[C@H](C(N)=O)CCSC)=O)=O)=O)NC([C@@H](NC([C@H](CCCCN)NC([C@H](CC(O)=O)NC([C@@H](NC([C@@H](NC([C@@H](N)C)=O)CCCCN)=O)CC2=CC=CC=C2)=O)=O)=O)CC3=CC=CC=C3)=O.O=C(O)C(F)(F)F