Octreotate

Octreotate

Identifiers
Jmol-3D images	Image 1
SMILES c3nc1ccccc1c3CC2NC(=O)C(NC(=O)C(NC(=O)C(N)Cc5ccccc5)CSSCC(C(=O)NC(C(O)=O)C(C)O)NC(=O)C(C(O)C)NC(=O)C(CCCCN)NC2=O)Cc4ccccc4
InChI InChI=1S/C49H64N10O11S2/c1-27(60)40-48(68)57-39(47(67)59-41(28(2)61)49(69)70)26-72-71-25-38(56-42(62)33(51)21-29-13-5-3-6-14-29)46(66)54-36(22-30-15-7-4-8-16-30)44(64)55-37(23-31-24-52-34-18-10-9-17-32(31)34)45(65)53-35(43(63)58-40)19-11-12-20-50/h3-10,13-18,24,27-28,33,35-41,52,60-61H,11-12,19-23,25-26,50-51H2,1-2H3,(H,53,65)(H,54,66)(H,55,64)(H,56,62)(H,57,68)(H,58,63)(H,59,67)(H,69,70)/t27-,28-,33-,35+,36+,37-,38+,39+,40+,41+/m1/s1 Key: KEKAEHDXIJNAIJ-WNIOSIORSA-N
Properties
Molecular formula	C₄₉H₆₄N₁₀O₁₁S₂
Molar mass	1033.22 g mol⁻¹
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)
Infobox references

Octreotate or octreotide acid is a somatostatin analogue that is closely related to octreotide. Its amino acid sequence is

H-D-Phe-Cys-Phe-D-Trp-Lys-Thr-Cys-Thr-OH

while octreotide has the terminal threonine reduced to the corresponding amino alcohol.

References

Laznicek, M.; Laznickova, A.; Mäcke, H. R.; Eisenwiener, K.; Reubi, J. C.; Wenger, S. (2002). "Octreotide and Octreotate Derivatives Radiolabeled with Yttrium: Pharmacokinetics in Rats". Cancer Biotherapy & Radiopharmaceuticals 17 (5): 527–533. doi:10.1089/108497802760804754. PMID 12470422. edit