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Vorsetuzumab mafodotin

CAT: 1568-C00966-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:1568-C00966-1mgSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1165741-01-4
Synonyms
SGN-75
Target
CD markers
Applications
Transmembrane Transporters
Additionnal Information
Vorsetuzumab mafodotin (SGN-75) is an antibody-drug conjugate (ADC) composed of a humanized monoclonal antibody directed against the extracellular domain of the human CD70 molecule, and a cytotoxic tubulin polymerization inhibitor. It is used in the treatment of renal cell carcinoma.
Storage Conditions
Store the undiluted solution at -20°C in the dark to avoid freeze-thaw cycles.

Chemical Information

Denintuzumab mafodotin

Vorsetuzumab mafodotin is under investigation in clinical trial NCT01677390 (A Phase 1b Study of SGN-75 in Combination With Everolimus in Patients With Renal Cell Carcinoma).

CAS Number1165741-01-4
PubChem CID86278355
IUPAC Name(2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-[3-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid
Molecular FormulaC52H83N7O13S
Molecular Weight1046.3
XLogP1.4
Topological Polar Surface Area301
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count31
Heavy Atom Count73
Formal Charge0
Complexity1880
SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN3C(=O)CC(C3=O)SC[C@@H](C(=O)O)N
InChI
InChI=1S/C52H83N7O13S/c1-12-32(6)45(38(71-10)27-41(61)58-25-19-22-37(58)46(72-11)33(7)47(63)54-36(52(69)70)26-34-20-15-13-16-21-34)57(9)50(66)43(30(2)3)55-48(64)44(31(4)5)56(8)40(60)23-17-14-18-24-59-42(62)28-39(49(59)65)73-29-35(53)51(67)68/h13,15-16,20-21,30-33,35-39,43-46H,12,14,17-19,22-29,53H2,1-11H3,(H,54,63)(H,55,64)(H,67,68)(H,69,70)/t32-,33+,35-,36-,37-,38+,39?,43-,44-,45-,46+/m0/s1
InChIKey
BXTJCSYMGFJEID-XMTADJHZSA-N
Chemical Structure
2D Structure
2D structure of Denintuzumab mafodotin
CAS: 1165741-01-4
CID: 86278355
Formula: C52H83N7O13S
MW: 1046.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1046.3
XLogP31.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count31
Exact Mass1045.57695690
Monoisotopic Mass1045.57695690
Topological Polar Surface Area301 Ų
Heavy Atom Count73
Formal Charge0
Complexity1880
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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M02853-2Anti-TNFSF7 / CD27L / CD70 Reference Antibody (Vorsetuzumab mafodotin)
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