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S 3304

CAT: 0013-GTR19155573-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19155573-01Size:1 g
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Description
S 3304 is a novel matrix metalloproteinases inhibitor which is specific for MMP-2 and MMP-9. (In Vitro) :S 3304 is a novel D-tryptophan derivative and a potent, orally active, noncytotoxic Matrix metalloproteinases inhibitor (MMPI) . Biochemical studies show that S 3304 most potently inhibits the activities of MMP-2 and MMP-9 but does not inhibit MMP-1, MMP-3, or MMP-7 and may, therefore, lack the musculoskeletal side effects seen with nonspecific inhibitors. (In Vivo) :In vivo pharmacologic studies have shown that the oral administration of S 3304, at a dose range of 20 to 200 mg/kg, inhibits angiogenesis, artificially induced in mice by the dorsal air-sac method. Similar oral doses of S 3304 result in potent inhibition of metastatic lung colonization of Lewis murine lung carcinoma injected via tail vein and liver metastasis of C-1H human colon cancer implanted into the spleen.
CAS Number
203640-27-1
Purity
>98% (HPLC)
Solubility
DMSO:83.3 mg/mL (179.31 mM)
Smiles
Cc (cc1) ccc1C#Cc (s1) ccc1S (N[C@H] (Cc1c[nH]c2c1cccc2) C (O) =O) (=O) =O
Molecular Formula
C24H20N2O4S2
Molecular Weight
464.56
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

S-3304

S-3304 has been used in trials studying the treatment of Lung Cancer, Solid Tumors, Non Small Cell Lung Cancer, Stage IIIB Non Small Cell Lung Cancer, and Stage IIIA Non Small Cell Lung Cancer, among others.

CAS Number203640-27-1
PubChem CID10718956
IUPAC Name(2R)-3-(1H-indol-3-yl)-2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]sulfonylamino]propanoic acid
Molecular FormulaC24H20N2O4S2
Molecular Weight464.6
XLogP5
Topological Polar Surface Area136
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity835
SMILES
CC1=CC=C(C=C1)C#CC2=CC=C(S2)S(=O)(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)O
InChI
InChI=1S/C24H20N2O4S2/c1-16-6-8-17(9-7-16)10-11-19-12-13-23(31-19)32(29,30)26-22(24(27)28)14-18-15-25-21-5-3-2-4-20(18)21/h2-9,12-13,15,22,25-26H,14H2,1H3,(H,27,28)/t22-/m1/s1
InChIKey
YWCLDDLVLSQGSZ-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of S-3304
CAS: 203640-27-1
CID: 10718956
Formula: C24H20N2O4S2
MW: 464.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.6
XLogP35
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass464.08644947
Monoisotopic Mass464.08644947
Topological Polar Surface Area136 Ų
Heavy Atom Count32
Formal Charge0
Complexity835
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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