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    177Lu Lilotomab Satetraxetan

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    DIGITAL CONTENT

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    2D Structure
    Also known as: 177lu-tetraxetan-hh1, 177lu-dota-hh1, Unii-054zp16k2q, 054zp16k2q, Who 10078, Lutetium (lu177) lilotomab satetraxetan
    Molecular Formula
    C30H44LuN7O10S
    Molecular Weight
    871.7  g/mol
    InChI Key
    JKXKGIYHPWESMW-NARNYJRYSA-K
    Lutetium Lu 177 Lilotomab-satetraxetan is a radioconjugate consisting of lilotomab, a murine immunoglobulin G1 (IgG1) antibody directed against the CD37 antigen, conjugated via the chelating agent 2-(4-isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane-tetraacetic acid (p-SCN-Bn-DOTA) with potential antineoplastic activities. Upon administration of lutetium Lu 177 lilotomab-satetraxetan, the lilotomab moiety binds to CD37 expressed on certain tumor cells. Upon binding, lutetium Lu 177 lilotomab-satetraxetan delivers a cytotoxic dose of beta radiation to CD37-expressing cells. CD37 is a transmembrane glycoprotein expressed at high-levels on B-cells and to a lesser extent on T-cells and myeloid cells, and is frequently overexpressed in certain B-cell lymphomas.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-amino-6-[[4-[[(2R)-1,4,7,10-tetrakis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-2-yl]methyl]phenyl]carbamothioylamino]hexanoate;hydron;lutetium-177(3+)
    2.1.2 InChI
    InChI=1S/C30H47N7O10S.Lu/c31-24(29(46)47)3-1-2-8-32-30(48)33-22-6-4-21(5-7-22)15-23-16-36(19-27(42)43)12-11-34(17-25(38)39)9-10-35(18-26(40)41)13-14-37(23)20-28(44)45;/h4-7,23-24H,1-3,8-20,31H2,(H,38,39)(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H2,32,33,48);/q;+3/p-3/t23-,24+;/m1./s1/i;1+2
    2.1.3 InChI Key
    JKXKGIYHPWESMW-NARNYJRYSA-K
    2.1.4 Canonical SMILES
    [H+].[H+].C1CN(CCN(C(CN(CCN1CC(=O)[O-])CC(=O)[O-])CC2=CC=C(C=C2)NC(=S)NCCCCC(C(=O)[O-])N)CC(=O)[O-])CC(=O)[O-].[Lu+3]
    2.1.5 Isomeric SMILES
    [H+].[H+].C1CN(CCN([C@@H](CN(CCN1CC(=O)[O-])CC(=O)[O-])CC2=CC=C(C=C2)NC(=S)NCCCC[C@@H](C(=O)[O-])N)CC(=O)[O-])CC(=O)[O-].[177Lu+3]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 177lu-dota-hh1

    2. 177lu-tetraxetan-tetulomab

    3. 177lu-tetulomab

    4. Betalutin

    5. Tetulomab Tetraxetan Lu-177

    2.2.2 Depositor-Supplied Synonyms

    1. 177lu-tetraxetan-hh1

    2. 177lu-dota-hh1

    3. Unii-054zp16k2q

    4. 054zp16k2q

    5. Who 10078

    6. Lutetium (lu177) Lilotomab Satetraxetan

    7. Lutetium (177lu) Lilotomab Satetraxetan [inn]

    8. Lutetium (lu177) Lilotomab Satetraxetan [usan]

    9. 1453362-90-7

    10. Immunoglobulin G1-kappa, Anti-(homo Sapiens Cd37 (tspan26, Tetraspanin-26)), Mus Musculus Monoclonal Antibody, Lutetium (lu 177) Radiolabelled Satetraxetan (dota Derivative) Conjugate

    2.3 Create Date
    2018-05-07
    3 Chemical and Physical Properties
    Molecular Weight 871.7 g/mol
    Molecular Formula C30H44LuN7O10S
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count12
    Exact Mass871.23080 g/mol
    Monoisotopic Mass871.23080 g/mol
    Topological Polar Surface Area296 Ų
    Heavy Atom Count49
    Formal Charge0
    Complexity1050
    Isotope Atom Count1
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count4