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CEP-7055

CAT: 0931-T69288-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T69288-01Size:25 mg
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CAS Number
402857-58-3
Target
Others, VEGFR
Related Pathways
Tyrosine Kinase/Adaptors, Others, Angiogenesis
Bioactivity
CEP-18770 is an orally bioavailable synthetic P2 threonine boronic acid inhibitor of the chymotrypsin-like activity of the proteasome, with potential antineoplastic activity. Proteasome inhibitor CEP 18770 represses the proteasomal degradation of a variety of proteins, including inhibitory kappaBalpha (IkappaBalpha), resulting in the cytoplasmic sequestration of the transcription factor NF-kappaB; inhibition of NF-kappaB nuclear translocation and transcriptional up-regulation of a variety of cell growth-promoting factors; and apoptotic cell death in susceptible tumor cell populations. In vitro studies indicate that this agent exhibits a favorable cytotoxicity profile toward normal human epithelial cells, bone marrow progenitors, and bone marrow-derived stromal cells relative to the proteasome inhibitor bortezomib. The intracellular protein IkappaBalpha functions as a primary inhibitor of the proinflammatory transcription factor NF-kappaB.
Smiles
C(CCOC(CN(C)C)=O)N1C=2C(=C3C(=C4C2CC=5C4=CC=CC5)C(=O)NC3)C=6C1=CC=C(COC(C)C)C6
Molecular Formula
C32H35N3O4
Molecular Weight
525.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cep 7055
CAS Number402857-58-3
PubChem CID9936664
IUPAC Name3-[14-oxo-7-(propan-2-yloxymethyl)-3,13-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(16),2(10),4(9),5,7,11(15),17,19,21-nonaen-3-yl]propyl 2-(dimethylamino)acetate
Molecular FormulaC32H35N3O4
Molecular Weight525.6
XLogP4.5
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count39
Formal Charge0
Complexity895
SMILES
CC(C)OCC1=CC2=C(C=C1)N(C3=C2C4=C(C5=C3CC6=CC=CC=C65)C(=O)NC4)CCCOC(=O)CN(C)C
InChI
InChI=1S/C32H35N3O4/c1-19(2)39-18-20-10-11-26-23(14-20)29-25-16-33-32(37)30(25)28-22-9-6-5-8-21(22)15-24(28)31(29)35(26)12-7-13-38-27(36)17-34(3)4/h5-6,8-11,14,19H,7,12-13,15-18H2,1-4H3,(H,33,37)
InChIKey
UHEBDUAFKQHUBV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cep 7055
CAS: 402857-58-3
CID: 9936664
Formula: C32H35N3O4
MW: 525.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight525.6
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass525.26275661
Monoisotopic Mass525.26275661
Topological Polar Surface Area72.8 Ų
Heavy Atom Count39
Formal Charge0
Complexity895
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