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Tanomastat

CAT: 0013-GTR19203044-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203044-02Size:1 mg
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Description
Tanomastat is a non-peptidic, orally bioavailable biphenyl compound that acts as a matrix metalloproteinase (MMP) inhibitor. It exhibits inhibitory activity against MMP-2, MMP-3, MMP-9, and MMP-13 with Ki values of 11, 143, 301, and 1470 nM, respectively. This small molecule has been utilized in research models investigating cancer metastasis, arthritis, and cardiovascular remodeling.
CAS Number
179545-77-8
Field of Research
Protein Biochemistry
Smiles
C (C[C@H] (CSC1=CC=CC=C1) C (O) =O) (=O) C2=CC=C (C=C2) C3=CC=C (Cl) C=C3
Molecular Formula
C23H19ClO3S
Molecular Weight
410.91
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tanomastat

Tanomastat is a member of biphenyls and an organochlorine compound.

CAS Number179545-77-8
PubChem CID6918336
IUPAC Name(2S)-4-[4-(4-chlorophenyl)phenyl]-4-oxo-2-(phenylsulfanylmethyl)butanoic acid
Molecular FormulaC23H19ClO3S
Molecular Weight410.9
XLogP5.5
Topological Polar Surface Area79.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity504
SMILES
C1=CC=C(C=C1)SC[C@@H](CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)Cl)C(=O)O
InChI
InChI=1S/C23H19ClO3S/c24-20-12-10-17(11-13-20)16-6-8-18(9-7-16)22(25)14-19(23(26)27)15-28-21-4-2-1-3-5-21/h1-13,19H,14-15H2,(H,26,27)/t19-/m1/s1
InChIKey
JXAGDPXECXQWBC-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of Tanomastat
CAS: 179545-77-8
CID: 6918336
Formula: C23H19ClO3S
MW: 410.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.9
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass410.0743433
Monoisotopic Mass410.0743433
Topological Polar Surface Area79.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity504
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS5804779(Rac)-Tanomastat
MBS6092864-01Tanomastat (BAY 12-9566, (S)-4'-Chloro-g-oxo-a-[(phenylthio)methyl][1,1'-biphenyl]-4-butanoic Acid)

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