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MMI-166

CAT: 0013-GTR19209949-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209949-02Size:50 mg
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Description
MMI-166 is a selective inhibitor of matrix metalloproteinases MMP-2 and MMP-9. It is used in cancer research to study mechanisms of tumor invasion and metastasis, with applications in both in vitro cell culture and in vivo animal models of metastasis.
CAS Number
193809-84-6
Smiles
C ([C@@H] (NS (=O) (=O) C1=CC=C (C=C1) C2=NN (N=N2) C3=CC=CC=C3) C (O) =O) C=4C=5C (NC4) =CC=CC5
Molecular Formula
C24H20N6O4S
Molecular Weight
488.52
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mmi-166
CAS Number193809-84-6
PubChem CID9870100
IUPAC Name(2R)-3-(1H-indol-3-yl)-2-[[4-(2-phenyltetrazol-5-yl)phenyl]sulfonylamino]propanoic acid
Molecular FormulaC24H20N6O4S
Molecular Weight488.5
XLogP4.1
Topological Polar Surface Area151
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity824
SMILES
C1=CC=C(C=C1)N2N=C(N=N2)C3=CC=C(C=C3)S(=O)(=O)N[C@H](CC4=CNC5=CC=CC=C54)C(=O)O
InChI
InChI=1S/C24H20N6O4S/c31-24(32)22(14-17-15-25-21-9-5-4-8-20(17)21)28-35(33,34)19-12-10-16(11-13-19)23-26-29-30(27-23)18-6-2-1-3-7-18/h1-13,15,22,25,28H,14H2,(H,31,32)/t22-/m1/s1
InChIKey
NLABJQQLMHAJIL-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of Mmi-166
CAS: 193809-84-6
CID: 9870100
Formula: C24H20N6O4S
MW: 488.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight488.5
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass488.12667431
Monoisotopic Mass488.12667431
Topological Polar Surface Area151 Ų
Heavy Atom Count35
Formal Charge0
Complexity824
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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