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SPDB-DM1

  CAS No.:   Cat No.: BADC-01407   Purity: ≥95% 4.5  

SPDB-DM1 is a mertansine-linked drug that is a cytotoxic agent. It is used as the cytotoxic component in antibody-drug conjugates.

SPDB-DM1

Structure of

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ADC Cytotoxin with Linker
Molecular Formula
C43H57ClN4O14S2
Molecular Weight
953.51

* For research and manufacturing use only. We do not sell to patients.

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Synonyms
Maytansine, N2'-deacetyl-N2'-[3-[[4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxobutyl]dithio]-1-oxopropyl]-; 2,5-dioxopyrrolidin-1-yl 4-((3-(((S)-1-(((14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl)oxy)-1-oxopropan-2-yl)(methyl)amino)-3-oxopropyl)disulfaneyl)butanoate; (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{[3-({4-[(2,5-dioxo-1-pyrrolidinyl)oxy]-4-oxobutyl}disulfanyl)propanoyl](methyl)amino}propanoate
IUPAC Name
(2,5-dioxopyrrolidin-1-yl) 4-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]butanoate
Canonical SMILES
CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)CCSSCCCC(=O)ON5C(=O)CCC5=O)C)C)OC)(NC(=O)O2)O
InChI
InChI=1S/C43H57ClN4O14S2/c1-24-11-9-12-31(58-8)43(56)23-30(59-41(55)45-43)25(2)39-42(4,61-39)32(22-36(52)47(6)28-20-27(19-24)21-29(57-7)38(28)44)60-40(54)26(3)46(5)33(49)16-18-64-63-17-10-13-37(53)62-48-34(50)14-15-35(48)51/h9,11-12,20-21,25-26,30-32,39,56H,10,13-19,22-23H2,1-8H3,(H,45,55)/b12-9+,24-11+/t25-,26+,30+,31-,32+,39+,42+,43+/m1/s1
InChIKey
HATOINOAQHVWNU-NEZJMDNZSA-N
Density
1.4±0.1 g/cm3

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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Historical Records: Biotin-PEG4-PFP ester | Biotin-PEG4-SS-Alkyne | FR-901464 | MCC-DM1 | MCC-Modified Daunorubicinol | MAC glucuronide phenol-linked SN-38 | MAC glucuronide α-hydroxy lactone-linked SN-38 | NH2-PEG4-VC-PAB-DMEA-SN38 | Cantuzumab mertansine | SC-VC-PAB-DM1 | SPDB-DM1
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