DOTATATE (acetate)

DOTATATE is a synthetic peptide composed of the somatostatin receptor (SST) binding peptide GFCYWKTCT conjugated to the bifunctional chelator DOTA. It has been conjugated to various radioligands for use in scintigraphy and PET/CT imaging of SST-positive human tumor slices.Formal Name: cyclic (2->7)-disulfide, N-[[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-L-threonine, acetate. CAS Number: 177943-89-4. Synonyms: DOTA-(Tyr3)-TATE. Molecular Formula: C65H90N14O19S2 . XC2H4O2. Formula Weight: 1435.6. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: PBS (pH 7.2): Slightly Soluble: 0.1-1 mg/ml. SMILES: O=C(N[C@H](C(N[C@@](C(N1)=O)([H])[C@H](O)C)=O)CCCCN)[C@H](NC([C@@H](NC([C@H](CSSC[C@H]1C(N[C@H](C(O)=O)[C@H](O)C)=O)NC([C@H](NC(CN(CCN(CC2)CC(O)=O)CCN(CCN2CC(O)=O)CC(O)=O)=O)CC3=CC=CC=C3)=O)=O)CC(C=C4)=CC=C4O)=O)CC5=CNC6=CC=CC=C56.CC(O)=O. InChi Code: InChI=1S/C65H90N14O19S2.C2H4O2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66,1-2(3)4/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98),1H3,(H,3,4)/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+,/m1./s1. InChi Key: MGIRFLMPSDEBOD-UZOALHFESA-N.