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CC-1069

CAT: 0931-T207597-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T207597-01Size:10 mg
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CAS Number
167887-03-8
Target
TNF
Related Pathways
Apoptosis
Bioactivity
CC-1069, a structural analogue of thalidomide, acts as a TNF-α inhibitor and impedes endothelial cell proliferation. CC-1069 is useful for research on angiogenesis-dependent tumors such as gliomas.
Smiles
O=C(N)CC(C1=CC=C(OC)C(OC)=C1)N2C(=O)C=3C=CC=CC3C2=O
Molecular Formula
C19H18N2O5
Molecular Weight
354.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CC-1069
CAS Number167887-03-8
PubChem CID461663
IUPAC Name3-(3,4-dimethoxyphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
Molecular FormulaC19H18N2O5
Molecular Weight354.4
XLogP1.2
Topological Polar Surface Area98.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity542
SMILES
COC1=C(C=C(C=C1)C(CC(=O)N)N2C(=O)C3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C19H18N2O5/c1-25-15-8-7-11(9-16(15)26-2)14(10-17(20)22)21-18(23)12-5-3-4-6-13(12)19(21)24/h3-9,14H,10H2,1-2H3,(H2,20,22)
InChIKey
GKPXSGPDRIUIAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CC-1069
CAS: 167887-03-8
CID: 461663
Formula: C19H18N2O5
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass354.12157168
Monoisotopic Mass354.12157168
Topological Polar Surface Area98.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity542
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19257636-01CC-1069
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