Caerulein (~90%)

CAS: 17650-98-5

Ref. TR-C070000

Product Information

• Name: Caerulein (~90%)
• Synonyms: Caerulein, Caerulein (Xenopus amieti), Caerulein 1.1, Caerulein 1.1 (Litoria citropa), Cerulein, Ceruletide, FI 6934, L-Phenylalaninamide, 5-oxo-L-prolyl-L-glutaminyl-L-α-aspartyl-O-sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-α-aspartyl-, Ceruletide [USAN:INN:BAN], 5-Oxo-L-prolyl-L-glutaminyl-L-alpha-aspartyl-O-sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninamide, 5-Oxo-L-prolyl-L-glutaminyl-L-aspartyl-L-tyrosyl-L-threonylglycyl-L-tryptophyl-L-methionyl-L-aspartylphenyl-L-alaninamide 4-(hydrogen sulfate) (ester), Ccris 3063, Ceruletida, Ceruletida [INN-Spanish], Ceruletidum, Ceruletidum [INN-Latin], Unii-888Y08971B, O-sulfo-L-tyrosyl-L-threonylglycyl-L-tryptophyl-D-norleucyl-L-alpha-aspartyl-L-phenylalaninamide
• CAS: 17650-98-5

Description

Applications Caerulein is a ten amino acid oligopeptide that stimulates smooth muscle and increases digestive secretions. It is similar in action and composition to cholecystokinin. It stimulates gastric, biliary, and pancreatic secretion; and certain smooth muscle. It is used in paralytic ileus and as diagnostic aid in pancreatic malfunction. It is used to induce pancreatitis in experimental animal models.
References Anastasi,E., et al.: Ep., 23, 699 (1997); De Caro, G., et al.: Br. J. Pharmac Chemother., 33, 48 (1968)

• Brand: TRC

Chemical properties

• Molecular weight: 1352.40
• Formula: C₅₈H₇₃N₁₃O₂₁S₂
• Purity: ~85%
• Color/Form: White to Off-White Solid
• InChI: InChI=1S/C58H73N13O21S2/c1-29(72)49(71-57(87)40(23-31-12-14-33(15-13-31)92-94(89,90)91)68-56(86)43(26-48(78)79)69-52(82)37(16-18-44(59)73)65-51(81)36-17-19-45(74)63-36)58(88)62-28-46(75)64-41(24-32-27-61-35-11-7-6-10-34(32)35)54(84)66-38(20-21-93-2)53(83)70-42(25-47(76)77)55(85)67-39(50(60)80)22-30-8-4-3-5-9-30/h3-15,27,29,36-43,49,61,72H,16-26,28H2,1-2H3,(H2,59,73)(H2,60,80)(H,62,88)(H,63,74)(H,64,75)(H,65,81)(H,66,84)(H,67,85)(H,68,86)(H,69,82)(H,70,83)(H,71,87)(H,76,77)(H,78,79)(H,89,90,91)/t29-,36+,37+,38+,39+,40+,41+,42+,43+,49+/m1/s1
• InChI key: InChIKey=YRALAIOMGQZKOW-YZGIGUMNSA-N
• SMILES: CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)[C@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)NC(Cc1ccccc1)C(N)=O