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MM0299

CAT: 0931-T84285-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T84285-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
474255-10-2
Target
Others, Cytochromes P450
Related Pathways
Metabolism, Others
Purity
0.9879
Bioactivity
MM0299 is brain permeable, has anti-glioblastoma activity, inhibits lanosterol synthase (LSS), and induces EPC production in in situ GBM tumors.
Smiles
O=C(C1=CC=C(OC)C=C1)COC2=CC=C(C=C2)N3C(=O)C4C5C=CC(C4C3=O)C6CC56
Molecular Formula
C26H23NO5
Molecular Weight
429.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(4-(2-(4-Methoxyphenyl)-2-oxoethoxy)phenyl)-4,4a,5,5a,6,6a-hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
CAS Number474255-10-2
PubChem CID2917785
IUPAC Name4-[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
Molecular FormulaC26H23NO5
Molecular Weight429.5
XLogP3.5
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity786
SMILES
COC1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)N3C(=O)C4C5C=CC(C4C3=O)C6C5C6
InChI
InChI=1S/C26H23NO5/c1-31-16-6-2-14(3-7-16)22(28)13-32-17-8-4-15(5-9-17)27-25(29)23-18-10-11-19(21-12-20(18)21)24(23)26(27)30/h2-11,18-21,23-24H,12-13H2,1H3
InChIKey
SYUJAWVNBGZCNK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-(2-(4-Methoxyphenyl)-2-oxoethoxy)phenyl)-4,4a,5,5a,6,6a-hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione
CAS: 474255-10-2
CID: 2917785
Formula: C26H23NO5
MW: 429.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.5
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass429.15762283
Monoisotopic Mass429.15762283
Topological Polar Surface Area72.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity786
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M37502-01MM0299

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