For research use only. Not for therapeutic Use.
[Sar9,Met(O2)11]-Substance P TFA(Cat No.:I046121)is a synthetic analog of the neuropeptide Substance P, modified with sarcosine at position 9 and oxidized methionine at position 11. These substitutions enhance metabolic stability and alter receptor binding, making it valuable for studying tachykinin receptor pharmacology. Substance P is widely implicated in pain transmission, neurogenic inflammation, and smooth muscle contraction. The trifluoroacetate (TFA) salt form provides stability for laboratory use. This analog is frequently applied in neuroscience, inflammation, and receptor signaling research to probe structure–activity relationships.
CAS Number | 2828433-10-7 |
Molecular Formula | C66H101F3N18O17S |
Purity | ≥95% |
IUPAC Name | (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide;2,2,2-trifluoroacetic acid |
InChI | InChI=1S/C64H100N18O15S.C2HF3O2/c1-38(2)34-46(57(89)74-42(54(69)86)28-33-98(4,96)97)73-53(85)37-80(3)62(94)48(36-40-18-9-6-10-19-40)79-58(90)47(35-39-16-7-5-8-17-39)78-56(88)43(24-26-51(67)83)75-55(87)44(25-27-52(68)84)76-59(91)50-23-15-32-82(50)63(95)45(21-11-12-29-65)77-60(92)49-22-14-31-81(49)61(93)41(66)20-13-30-72-64(70)71;3-2(4,5)1(6)7/h5-10,16-19,38,41-50H,11-15,20-37,65-66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,86)(H,73,85)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,88)(H,79,90)(H4,70,71,72);(H,6,7)/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-;/m0./s1 |
InChIKey | VDZDOTCGVUBCPG-LYQMAKBCSA-N |
SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)N)NC(=O)CN(C)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)N.C(=O)(C(F)(F)F)O |
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