Hemokinin 1 (mouse, rat) (trifluoroacetate salt)

A tachykinin neuropeptide and NK1 receptor agonist, binds to NK1 receptors (Ki = 0.175 nM) and induces contractions in isolated rat urinary bladder (EC50 = 100 nM), knockdown of Tac4 inhibits neurogenic inflammation-induced mechanical and thermal hypersensitivity and visceral nocifensive behavior in mice, Tac4-/- mice exhibit impaired inflammatory responses to intranasal administration of E. coli LPS. Formulation: A solid. InChI: InChI=1S/C61H100N22O15S.C2HF3O2/c1-32(2)27-42(55(95)76-38(49(64)89)22-26-99-4)75-47(88)30-74-51(91)43(29-35-16-18-36(86)19-17-35)80-56(96)44(28-34-11-6-5-7-12-34)81-53(93)41(20-21-46(63)87)78-52(92)39(14-9-24-72-60(67)68)79-58(98)48(33(3)85)83-54(94)40(15-10-25-73-61(69)70)77-57(97)45(31-84)82-50(90)37(62)13-8-23-71-59(65)66,3-2(4,5)1(6)7/h5-7,11-12,16-19,32-33,37-45,48,84-86H,8-10,13-15,20-31,62H2,1-4H3,(H2,63,87)(H2,64,89)(H,74,91)(H,75,88)(H,76,95)(H,77,97)(H,78,92)(H,79,98)(H,80,96)(H,81,93)(H,82,90)(H,83,94)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73),(H,6,7)/t33-,37+,38+,39+,40+,41+,42+,43+,44+,45+,48+,/m1./s1. InChIKey: ITKJSMRARYFITA-IXIJGXLCSA-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](CCC(N)=O)NC([C@H](CCCNC(N)=N)NC([C@H]([C@H](O)C)NC([C@H](CCCNC(N)=N)NC([C@H](CO)NC([C@@H](N)CCCNC(N)=N)=O)=O)=O)=O)=O)=O)CC2=CC=CC=C2)=O.OC(C(F)(F)F)=O