DOTA-​(Tyr3)​-​octreotate Acetate Salt

CAS: 177943-89-4

Ref. TR-D535760

Informação sobre produto

• Nome: DOTA-​(Tyr3)​-​octreotate Acetate Salt
• Sinónimos: DOTATE,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 Cyclic (2?7)?-?Disulfide Acetate (Salt), Dota-(Tyr3)-Octreotate Acetate, Dota-(Tyr3,Thr8)-Octreotide Acetate, DOTA-[Tyr3]-Octreotate, DOTA-[Tyr3, Thr8]-Octreotide, DOTA-TATE, N-[[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraaza-cyclododec-1-yl]acetyl]-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-trypto-phyl-L-lysyl-L-threonyl-L-cysteinyl-, cyclic(2-7) disulfide
• CAS: 177943-89-4

Descrição

Stability Hygroscopic
Applications DOTA-​(Tyr3)​-​octreotate can be obtained through preparation of DOTA-containing peptides and radionucleotide complexes as antitumor agents for treating somatostatin postive tumor and metastasized tumors.
References Albert, R., et al.: Jpn. Kokai Tokkyo Koho, JP 08081498 A 19960326 (1996)

• Marca: TRC

Propriedades químicas

• Peso molecular: 1435.62 + x(60.05)
• Fórmula: C₆₅H₉₀N₁₄O₁₉S₂·xCH₃COOH
• Cor/forma: Neat
• InChI: 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
• Chave InChI: InChIKey=MGIRFLMPSDEBOD-UZOALHFESA-N
• SMILES: CC(=O)O.C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O