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Chemical structure of Mertansine

GC19244

Mertansine

Also known as [(1S,2R,3R,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(3-sulfanylpropanoyl)amino]propanoate

Mertansine (DM1) is a microtubulin inhibitor which binds at the tips of microtubules and suppresses the dynamicity of microtubules

ChemicalCAS139504-50-0MW738.29FormulaC35H48ClN3O10S
CAS number
139504-50-0
Molecular weight
738.29
Formula
C35H48ClN3O10S
Solubility
DMSO ： ≥ 83·33 mg/mL (112·87 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
ANZJBCHSOXCCRQ-WPIRGBRYSA-N
Catalogue number
GC19244
Brand
GLPBIO
Computed properties PubChem CID 9962031 · XLogP 2.2 · TPSA 157 Ų · H-bond donors 3
XLogP
2.2
TPSA
157 Ų
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
8
Heavy atoms
50

SMILES C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCS)C)\C)OC)(NC(=O)O2)O

Computed descriptors from PubChem (CID 9962031), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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