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ProMMP-9 inhibitor-3c

CAT: 0013-GTR19210134-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210134-01Size:25 mg
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Description
This small molecule inhibitor potently and selectively targets proMMP-9. It functions by disrupting proMMP-9 homodimerization and its interactions with α4β1 integrin and CD44, leading to EGFR dissociation. This mechanism makes it a valuable research tool for studying MMP-9's role in cancer, inflammation, and angiogenesis in both cellular and animal models.
CAS Number
2138321-18-1
Field of Research
Cardiovascular Research, Pharmacology & Drug Discovery, Protein Biochemistry, Signal Transduction
Smiles
O=C1C2=C (NC (SCCCC (NC3=CC=C (F) C=C3) =O) =N1) CCCC2
Molecular Formula
C18H20FN3O2S
Molecular Weight
361.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ProMMP-9 inhibitor-3c
CAS Number2138321-18-1
PubChem CID137310420
IUPAC NameN-(4-fluorophenyl)-4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]butanamide
Molecular FormulaC18H20FN3O2S
Molecular Weight361.4
XLogP2.7
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity583
SMILES
C1CCC2=C(C1)C(=O)NC(=N2)SCCCC(=O)NC3=CC=C(C=C3)F
InChI
InChI=1S/C18H20FN3O2S/c19-12-7-9-13(10-8-12)20-16(23)6-3-11-25-18-21-15-5-2-1-4-14(15)17(24)22-18/h7-10H,1-6,11H2,(H,20,23)(H,21,22,24)
InChIKey
FNJYGVDTJGJMMD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ProMMP-9 inhibitor-3c
CAS: 2138321-18-1
CID: 137310420
Formula: C18H20FN3O2S
MW: 361.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.4
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass361.12602622
Monoisotopic Mass361.12602622
Topological Polar Surface Area95.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity583
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-122585ProMMP-9 inhibitor-3c
HY-149725ProMMP-9 selective inhibitor-1
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HY-155091ATM Inhibitor-9
HY-161153Microtubule inhibitor 9
HY-143582ATX inhibitor 9
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