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Chemical structure of MS6105

GC75470

MS6105

Also known as 2-[5-(cyclopropylmethyl)-3-[3-[6-[[13-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-13-oxotridecanoyl]amino]hex-1-ynyl]phenyl]-4-[(4-sulfamoylphenyl)methyl]pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid

MS6105 is an LDH protein hydrolysis-targeted chimera (PROTAC) that effectively degrades LDHA and LDHB in a time- and ubiquitin-proteasome system-dependent manner and has anticancer activity

ChemicalCAS2891709-58-1MW1228.59FormulaC65H81N9O9S3
CAS number
2891709-58-1
Molecular weight
1228.59
Formula
C65H81N9O9S3
InChIKey
APEYSKGQWJKJAZ-LCLGPXMOSA-N
Catalogue number
GC75470
Brand
GLPBIO
Computed properties PubChem CID 166642429 · XLogP 11.8 · TPSA 334 Ų · H-bond donors 6
XLogP
11.8
TPSA
334 Ų
H-bond donors
6
H-bond acceptors
15
Rotatable bonds
32
Heavy atoms
86

SMILES CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCCCCCCCCCC(=O)NCCCCC#CC4=CC(=CC=C4)C5=NN(C(=C5CC6=CC=C(C=C6)S(=O)(=O)N)CC7CC7)C8=NC(=CS8)C(=O)O)O

Computed descriptors from PubChem (CID 166642429), 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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Documents
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