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SK-216

CAT: 0931-T28788-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T28788-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
654080-03-2
Target
PAI-1
Related Pathways
Metabolism
Purity
0.9829
Bioactivity
SK-216, a specific PAI-1 inhibitor, reduces tumor angiogenesis and inhibits VEGF-induced migration and tube formation of human umbilical vein endothelial cells in vitro. This compound also alleviates bleomycin-induced pulmonary fibrosis in mice.
Smiles
O=C([O-])C(C([O-])=O)CCCCCOC1=CC2=CC=C(C=C2C=C1)C3=NC4=CC(C(C)(C)C)=CC=C4O3.[Na+].[Na+]
Molecular Formula
C29H29NNa2O6
Molecular Weight
533.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 52916994
CAS Number654080-03-2
PubChem CID52916994
IUPAC Namedisodium;2-[5-[6-(5-tert-butyl-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxypentyl]propanedioate
Molecular FormulaC29H29NNa2O6
Molecular Weight533.5
Topological Polar Surface Area116
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count38
Formal Charge0
Complexity726
SMILES
CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C3=CC4=C(C=C3)C=C(C=C4)OCCCCCC(C(=O)[O-])C(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C29H31NO6.2Na/c1-29(2,3)21-11-13-25-24(17-21)30-26(36-25)20-9-8-19-16-22(12-10-18(19)15-20)35-14-6-4-5-7-23(27(31)32)28(33)34;;/h8-13,15-17,23H,4-7,14H2,1-3H3,(H,31,32)(H,33,34);;/q;2*+1/p-2
InChIKey
YYTGMMYYLGKWIK-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of CID 52916994
CAS: 654080-03-2
CID: 52916994
Formula: C29H29NNa2O6
MW: 533.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight533.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass533.17902621
Monoisotopic Mass533.17902621
Topological Polar Surface Area116 Ų
Heavy Atom Count38
Formal Charge0
Complexity726
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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6187/10SK 216 10 mg
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