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A-176120

CAT: 0931-T26469-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T26469-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
185049-54-1
Target
Others, VEGFR, Ras, Transferase
Related Pathways
GPCR/G Protein, Tyrosine Kinase/Adaptors, Others, MAPK, Metabolism, Angiogenesis
Bioactivity
A-176120 is a potent farnesyl pyrophosphate (FPP) analogues, it selectively inhibits farnesyltransferase. It has anti-angiogenic potential and may reduce H-ras NIH3T3 tumour growth.
Smiles
C(N(CC1=C(OCC)C=CC=C1)CC2=CC(OC3=CC=C(C)C=C3)=CC=C2)(=O)C4=C(C(O)=O)C=C(C(O)=O)C(C(O)=O)=C4
Molecular Formula
C33H29NO9
Molecular Weight
583.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A-176120
CAS Number185049-54-1
PubChem CID9829802
IUPAC Name5-[(2-ethoxyphenyl)methyl-[[3-(4-methylphenoxy)phenyl]methyl]carbamoyl]benzene-1,2,4-tricarboxylic acid
Molecular FormulaC33H29NO9
Molecular Weight583.6
XLogP5.2
Topological Polar Surface Area151
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count43
Formal Charge0
Complexity964
SMILES
CCOC1=CC=CC=C1CN(CC2=CC(=CC=C2)OC3=CC=C(C=C3)C)C(=O)C4=CC(=C(C=C4C(=O)O)C(=O)O)C(=O)O
InChI
InChI=1S/C33H29NO9/c1-3-42-29-10-5-4-8-22(29)19-34(18-21-7-6-9-24(15-21)43-23-13-11-20(2)12-14-23)30(35)25-16-27(32(38)39)28(33(40)41)17-26(25)31(36)37/h4-17H,3,18-19H2,1-2H3,(H,36,37)(H,38,39)(H,40,41)
InChIKey
NHCMSBSXCWMLKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A-176120
CAS: 185049-54-1
CID: 9829802
Formula: C33H29NO9
MW: 583.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight583.6
XLogP35.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass583.18423150
Monoisotopic Mass583.18423150
Topological Polar Surface Area151 Ų
Heavy Atom Count43
Formal Charge0
Complexity964
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

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