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Chemical structure of Batimastat sodium salt

GC35470

Batimastat sodium salt

Also known as sodium (2R,3S)-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)-N'-oxido-3-(thiophen-2-ylsulfanylmethyl)butanediamide

Batimastat sodium salt is a potent broad spectrum MMP inhibitor with IC50 of 3, 4, 4, 6, and 20 nM for MMP-1, MMP-2, MMP-9, MMP-7 and MMP-3, respectively

ChemicalCAS130464-84-5MW499.62FormulaC23H30N3NaO4S2
CAS number
130464-84-5
Molecular weight
499.62
Formula
C23H30N3NaO4S2
Solubility
Soluble in DMSO
InChIKey
VWABIWQKZWQAKG-WXLIBGKBSA-N
Catalogue number
GC35470
Brand
GLPBIO
Computed properties PubChem CID 59955182 · TPSA 164 Ų · H-bond donors 3 · H-bond acceptors 6
TPSA
164 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
33

SMILES CC(C)C[C@H]([C@H](CSC1=CC=CS1)C(=O)N[O-])C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC.[Na+]

Computed descriptors from PubChem (CID 59955182), 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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