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MMP-2/9-IN-1

CAT: 0013-GTR19186044-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186044-01Size:25 mg
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Description
MMP-2/9-IN-1 (Compound 4a) is a potent dual inhibitor of matrix metalloproteinases MMP-2 and MMP-9, with IC50 values of 56 nM and 38 nM, respectively. It is a valuable research tool for studying extracellular matrix remodeling, cancer cell invasion, and angiogenesis in both cellular and animal models of disease.
CAS Number
2415311-84-9
Field of Research
Cardiovascular Research; Musculoskeletal & Connective Tissue Research, Protein Biochemistry
Smiles
C (=NNC (=N) N) (C) C=1SC (N/N=C/C2=CC=C (I) C=C2) =NC1C
Molecular Formula
C14H16IN7S
Molecular Weight
441.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mmp-2/9-IN-1
CAS Number2415311-84-9
PubChem CID164517106
IUPAC Name2-[(E)-1-[2-[(2E)-2-[(4-iodophenyl)methylidene]hydrazinyl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
Molecular FormulaC14H16IN7S
Molecular Weight441.30
XLogP3.1
Topological Polar Surface Area142
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity470
SMILES
CC1=C(SC(=N1)N/N=C/C2=CC=C(C=C2)I)/C(=N/N=C(N)N)/C
InChI
InChI=1S/C14H16IN7S/c1-8-12(9(2)20-21-13(16)17)23-14(19-8)22-18-7-10-3-5-11(15)6-4-10/h3-7H,1-2H3,(H,19,22)(H4,16,17,21)/b18-7+,20-9+
InChIKey
JRZPVQQAKYFXGY-ISUCCWLISA-N
Chemical Structure
2D Structure
2D structure of Mmp-2/9-IN-1
CAS: 2415311-84-9
CID: 164517106
Formula: C14H16IN7S
MW: 441.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.30
XLogP33.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass441.02326
Monoisotopic Mass441.02326
Topological Polar Surface Area142 Ų
Heavy Atom Count23
Formal Charge0
Complexity470
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-116399-01MMP-2/MMP-9-IN-1
MBS5805237MMP-2/9-IN-1
HY-P10143MMP-2/MMP-9 Substrate
M21587-01MMP-9-IN-1
C5598-5MMP-2/MMP-9 Inhibitor I
CCP2630-01MMP-2/MMP-9 Inhibitor III
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