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    Lutetium-177 Vipivotide Tetraxetan

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    2D Structure
    Also known as: 177lu-psma-617, G6uf363ecx, Vipivotide tetraxetan lu-177, 177lu-labeled psma-617, Lutetium lu-177 vipivotide tetraxetan, Vipivotide tetraxetan lutetium lu-177
    Molecular Formula
    C49H68LuN9O16
    Molecular Weight
    1216.1  g/mol
    InChI Key
    RSTDSVVLNYFDHY-IOCOTODDSA-K
    FDA UNII
    G6UF363ECX
    Lutetium Lu 177 Vipivotide Tetraxetan is a radioconjugate composed of PSMA-617, a human prostate-specific membrane antigen (PSMA)-targeting ligand, conjugated to the beta-emitting radioisotope lutetium Lu 177 (177Lu), with potential antineoplastic activity against PSMA-expressing tumor cells. Upon intravenous administration of lutetium Lu 177 vipivotide tetraxetan, vipivotide tetraxetan targets and binds to PSMA-expressing tumor cells. Upon binding, PSMA-expressing tumor cells are destroyed by 177Lu through the specific delivery of beta particle radiation. PSMA, a tumor-associated antigen and type II transmembrane protein, is expressed on the membrane of prostatic epithelial cells and overexpressed on prostate tumor cells.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[4-[2-[[4-[[(2S)-1-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamoyl]cyclohexyl]methylamino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;lutetium-177(3+)
    2.1.2 InChI
    InChI=1S/C49H71N9O16.Lu/c59-40(28-55-17-19-56(29-42(62)63)21-23-58(31-44(66)67)24-22-57(20-18-55)30-43(64)65)51-27-32-8-12-35(13-9-32)45(68)52-39(26-33-10-11-34-5-1-2-6-36(34)25-33)46(69)50-16-4-3-7-37(47(70)71)53-49(74)54-38(48(72)73)14-15-41(60)61;/h1-2,5-6,10-11,25,32,35,37-39H,3-4,7-9,12-24,26-31H2,(H,50,69)(H,51,59)(H,52,68)(H,60,61)(H,62,63)(H,64,65)(H,66,67)(H,70,71)(H,72,73)(H2,53,54,74);/q;+3/p-3/t32?,35?,37-,38-,39-;/m0./s1/i;1+2
    2.1.3 InChI Key
    RSTDSVVLNYFDHY-IOCOTODDSA-K
    2.1.4 Canonical SMILES
    C1CC(CCC1CNC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O.[Lu+3]
    2.1.5 Isomeric SMILES
    C1CC(CCC1CNC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)N[C@@H](CC3=CC4=CC=CC=C4C=C3)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O.[177Lu+3]
    2.2 Other Identifiers
    2.2.1 UNII
    G6UF363ECX
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 177lu-617-prostate-specific Membrane Antigen Ligand

    2. 177lu-psma-617

    2.3.2 Depositor-Supplied Synonyms

    1. 177lu-psma-617

    2. G6uf363ecx

    3. Vipivotide Tetraxetan Lu-177

    4. 177lu-labeled Psma-617

    5. Lutetium Lu-177 Vipivotide Tetraxetan

    6. Vipivotide Tetraxetan Lutetium Lu-177

    7. Lutetium (177lu) Vipivotide Tetraxetan

    8. Lutetium (177lu) Vipivotide Tetraxetan [inn]

    9. Lutetium Lu 177 Vipivotide Tetraxetan [usan]

    10. Pluvicto

    11. Unii-g6uf363ecx

    12. Who 11429

    13. Lutetium (177lu) Vipivotide Tetraxetan [who-dd]

    14. 1703749-62-5

    15. 1983157-55-6

    16. Lutetate(3-)-177lu, (n-((((1s)-1-carboxy-5-(((2s)-3-(2-naphthalenyl)-1-oxo-2-(((trans-4-(((2-(4,7,10-tris((carboxy-.kappa.o)methyl)-1,4,7,10-tetraazacyclododec-1-yl-.kappa.n1,.kappa.n4,.kappa.n7,.kappa.n10)acetyl-.kappa.o)amino)methyl)cyclohexyl)carbonyl)amino)propyl)amino)pentyl)amino)carbonyl)-l-glutamato(6-))-, Hydrogen (1:3)

    17. Lutetate(3-)-177lu, (n2-((((1s)-1,3-dicarboxypropyl)amino)carbonyl)-n6-(3-(2-naphthalenyl)-n-((trans-4-(((2-(4,7,10-tris((carboxy-.kappa.o)methyl)-1,4,7,10-tetraazacyclododec-1-yl-.kappa.n1,.kappa.n4,.kappa.n7,.kappa.n10)acetyl-.kappa.o)amino)methyl)cyclohexyl)carbonyl)-l-alanyl)-l-lysinato(6-))-, Hydrogen (1:3

    2.4 Create Date
    2016-12-16
    3 Chemical and Physical Properties
    Molecular Weight 1216.1 g/mol
    Molecular Formula C49H68LuN9O16
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count20
    Rotatable Bond Count24
    Exact Mass1215.42217 g/mol
    Monoisotopic Mass1215.42217 g/mol
    Topological Polar Surface Area374 Ų
    Heavy Atom Count75
    Formal Charge0
    Complexity1860
    Isotope Atom Count1
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Drug and Medication Information
    4.1 Drug Indication

    Treatment of PSMA-expressing prostate cancer

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Radiopharmaceuticals

    Compounds that are used in medicine as sources of radiation for radiotherapy and for diagnostic purposes. They have numerous uses in research and industry. (Martindale, The Extra Pharmacopoeia, 30th ed, p1161) (See all compounds classified as Radiopharmaceuticals.)