Caerulein, desulfated TFA

• CAT Number: I045997
• Molecular Formula: C60H74F3N13O20S
• Molecular Weight: 1386.36
• Purity: ≥95%
• IUPAC Name: (3S)-3-[[(2S)-5-amino-5-oxo-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-[[(2S)-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
• InChI: InChI=1S/C58H73N13O18S.C2HF3O2/c1-29(72)49(71-57(88)40(23-31-12-14-33(73)15-13-31)68-56(87)43(26-48(79)80)69-52(83)37(16-18-44(59)74)65-51(82)36-17-19-45(75)63-36)58(89)62-28-46(76)64-41(24-32-27-61-35-11-7-6-10-34(32)35)54(85)66-38(20-21-90-2)53(84)70-42(25-47(77)78)55(86)67-39(50(60)81)22-30-8-4-3-5-9-30;3-2(4,5)1(6)7/h3-15,27,29,36-43,49,61,72-73H,16-26,28H2,1-2H3,(H2,59,74)(H2,60,81)(H,62,89)(H,63,75)(H,64,76)(H,65,82)(H,66,85)(H,67,86)(H,68,87)(H,69,83)(H,70,84)(H,71,88)(H,77,78)(H,79,80);(H,6,7)/t29-,36+,37+,38+,39+,40+,41+,42+,43+,49+;/m1./s1
• InChIKey: ABUZDNFNUDAICK-CBCFNHQSSA-N
• SMILES: C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]5CCC(=O)N5)O.C(=O)(C(F)(F)F)O

Caerulein, desulfated TFA(CAT: I045997) is a synthetic peptide analog structurally related to cholecystokinin (CCK) and gastrin, widely used as a pharmacological tool in gastrointestinal and pancreatic research. Unlike native caerulein, the desulfated form lacks the sulfate group at the tyrosine residue, resulting in reduced potency at CCK receptors while maintaining biological activity. It stimulates smooth muscle contraction, increases gastric and pancreatic secretions, and modulates satiety signaling. In experimental models, desulfated caerulein is employed to investigate pancreatic enzyme regulation, gallbladder contraction, and gastrointestinal motility. This peptide serves as a valuable research probe for studying neuropeptide receptor pharmacology and digestive physiology.