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S-Me-DM4

  CAS No.: 890654-03-2   Cat No.: BADC-01365 4.5  

S-Me-DM4 is an ADC cytotoxin molecule. It inhibits in vitro polymerization of tubulin and is used in the treatment of advanced breast cancer.

S-Me-DM4

Structure of 890654-03-2

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Category
ADC Cytotoxin
Molecular Formula
C39H56ClN3O10S
Molecular Weight
794.39
Shipping
Store at 0-4°C for short term (days to weeks) or -20°C for long term (months to years)

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

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Synonyms
N2'-deacetyl-N2'-[4-methyl-4-(methylthio)-1-oxopentyl]-Maytansine; N2'-Deacetyl-N2'-(4-methyl-4-methylthio-1-oxopentyl)maytansine; (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 N-methyl-N-(4-methyl-4-(methylthio)pentanoyl)-L-alaninate
IUPAC Name
[(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] (2S)-2-[methyl-(4-methyl-4-methylsulfanylpentanoyl)amino]propanoate
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)CCC(C)(C)SC)C)C)OC)(NC(=O)O2)O
InChI
InChI=1S/C39H56ClN3O10S/c1-22-13-12-14-29(50-10)39(48)21-28(51-36(47)41-39)23(2)34-38(6,53-34)30(52-35(46)24(3)42(7)31(44)15-16-37(4,5)54-11)20-32(45)43(8)26-18-25(17-22)19-27(49-9)33(26)40/h12-14,18-19,23-24,28-30,34,48H,15-17,20-21H2,1-11H3,(H,41,47)/b14-12+,22-13+/t23-,24+,28+,29-,30+,34+,38+,39+/m1/s1
InChIKey
AYWIIXDQRUFQGH-SIDGEOBYSA-N
Storage
Store at 0-4°C for short term (days to weeks) or -20°C for long term (months to years)

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: PROTAC BRD4 Degrader-12 | Dxd-D5 | 2',3'-cGAMP-C2-SH | S-Me-DM4
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