Indium In-111 pentetreotide

Indium In-111 Pentetreotide is an indium 111 radioconjugate of pentetreotide, the diethylenetriaminopentaacetic (DTPA) conjugate of the human hormone somatostatin peptide analogue (octreotide), used for radioimaging neuroendocrine tumor cells. The pentetreotide moiety of indium In 111 pentetreotide binds to somatostatin receptors (SSTRs), especially type 2 receptors, present on the cell membranes of many types of neuroendocrine tumor cells. Upon binding and internalization, this radioconjugate allows for specific imaging of neuroendocrine tumors that overexpress somatostatin using scintigraphic imaging techniques. In addition, high dose indium In 111 pentetreotide may specifically deliver a cytotoxic dose of gamma radiation to SSTR-positive cells thereby killing SSTR-expressing tumor cells.

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CAT#	10-101-336
CAS	139096-04-1
Chemical Name	2-[2-[[2-[1-[[10-(4-aminobutyl)-16-benzyl-4-(1,3-dihydroxybutan-2-ylcarbamoyl)-7-(1-hydroxyethyl)-13-(1H-indol-3-ylmethyl)-9-oxido-6,12,15,18-tetraoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-8-en-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]imino-2-oxidoethyl]-(carboxylatomethyl)amino]ethyl-(3,3-dicarboxypropyl)amino]acetate;indium-111(3+)
M.F/Formula	C62H80InN12O19S2-
M.W/Mr.	1472.4

CAT#	Product Name	Inquiry
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Z10-101-162	FR 179642	Inquiry
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10-101-95	Pentagastrin	Inquiry

CAT#	Product Name	M.W	Molecular Formula	Inquiry
10-101-20	Goserelin Acetate	1269.43	C59H84N18O14	Inquiry
10-101-59	Liraglutide	3751.2	C172H265N43O51	Inquiry
R1574	Octreotide	1019.24	C₄₉H₆₆N₁₀O₁₀S₂	Inquiry
10-101-139	Myrcludex B			Inquiry
10-101-285	Teduglutide	3752.08	C164H252N44O55S	Inquiry
R1847	Sermaglutide	4114	C187H291N45O59	Inquiry
R1961	Carbetocin	988.2	C45H69N11O12S	Inquiry

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InChI	InChI=1S/C62H84N12O19S2.In/c1-35(76)47(32-75)69-59(88)49-34-95-94-33-48(70-55(84)44(25-37-13-5-3-6-14-37)65-50(78)29-74(31-52(81)82)24-23-73(30-51(79)80)22-20-41(61(90)91)62(92)93)58(87)67-45(26-38-15-7-4-8-16-38)56(85)68-46(27-39-28-64-42-18-10-9-17-40(39)42)57(86)66-43(19-11-12-21-63)54(83)72-53(36(2)77)60(89)71-49;/h3-10,13-18,28,35-36,41,43-49,53,64,75-77H,11-12,19-27,29-34,63H2,1-2H3,(H,65,78)(H,66,86)(H,67,87)(H,68,85)(H,69,88)(H,70,84)(H,71,89)(H,72,83)(H,79,80)(H,81,82)(H,90,91)(H,92,93);/q;+3/p-4/i;1-4
InChI Key	ZKZPXKKVDJOAIS-JWFOFJTQSA-J
Canonical SMILES	CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=N1)[O-])CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N=C(CN(CCN(CCC(C(=O)O)C(=O)O)CC(=O)[O-])CC(=O)[O-])[O-])C(=O)NC(CO)C(C)O)O.[In+3]
Isomeric SMILES	CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=N1)[O-])CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N=C(CN(CCN(CCC(C(=O)O)C(=O)O)CC(=O)[O-])CC(=O)[O-])[O-])C(=O)NC(CO)C(C)O)O.[111In+3]