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Solimastat

CAT: 0013-GTR19210300-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210300-03Size:100 mg
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Description
Solimastat is a potent, orally bioavailable broad-spectrum matrix metalloproteinase inhibitor (MMPI) . It demonstrates over ten times greater activity than marimastat in suppressing cell-bound TNF-alpha processing. This inhibitor is utilized in research areas such as oncology and inflammation, with applications in both in vitro enzymatic assays and in vivo disease models.
CAS Number
226072-63-5
Smiles
[C@@H] ([C@@H] (C (NO) =O) OC) (C (N[C@H] (C (NC1=CC=CC=N1) =O) [C@] (C) (C) C) =O) CC (C) C
Molecular Formula
C20H32N4O5
Molecular Weight
408.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Solimastat

Solimastat is a small molecule drug. The usage of the INN stem '-mastat' in the name indicates that Solimastat is a matrix metalloproteinase inhibitor. Solimastat has a monoisotopic molecular weight of 408.24 Da.

CAS Number226072-63-5
PubChem CID9822724
IUPAC Name(2R,3S)-N-[(2S)-3,3-dimethyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]-N'-hydroxy-3-methoxy-2-(2-methylpropyl)butanediamide
Molecular FormulaC20H32N4O5
Molecular Weight408.5
XLogP1.9
Topological Polar Surface Area130
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count29
Formal Charge0
Complexity562
SMILES
CC(C)C[C@H]([C@@H](C(=O)NO)OC)C(=O)N[C@H](C(=O)NC1=CC=CC=N1)C(C)(C)C
InChI
InChI=1S/C20H32N4O5/c1-12(2)11-13(15(29-6)18(26)24-28)17(25)23-16(20(3,4)5)19(27)22-14-9-7-8-10-21-14/h7-10,12-13,15-16,28H,11H2,1-6H3,(H,23,25)(H,24,26)(H,21,22,27)/t13-,15+,16-/m1/s1
InChIKey
WORSVFBVUCBRIP-VNQPRFMTSA-N
Chemical Structure
2D Structure
2D structure of Solimastat
CAS: 226072-63-5
CID: 9822724
Formula: C20H32N4O5
MW: 408.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.5
XLogP31.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass408.23727013
Monoisotopic Mass408.23727013
Topological Polar Surface Area130 Ų
Heavy Atom Count29
Formal Charge0
Complexity562
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T69716-01Solimastat

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