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Integrin Antagonists 27

CAT: 0013-GTR19203754-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203754-04Size:25 mg
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Description
Integrin Antagonists 27 is a potent, small molecule inhibitor of integrin αvβ3 with an 18 nM binding affinity. This novel anticancer agent is utilized in research to study angiogenesis, tumor metastasis, and apoptosis in both in vitro cell-based assays and in vivo xenograft models.
CAS Number
593274-97-6
Field of Research
Signal Transduction
Smiles
Cc1ccc (NC (=O) CN2C (=O) N\C (=C/c3cccn3-c3cccc (c3) C (O) =O) C2=O) cc1
Molecular Formula
C24H20N4O5
Molecular Weight
444.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Integrin Antagonists 27
CAS Number593274-97-6
PubChem CID6148173
IUPAC Name3-[2-[(Z)-[1-[2-(4-methylanilino)-2-oxoethyl]-2,5-dioxoimidazolidin-4-ylidene]methyl]pyrrol-1-yl]benzoic acid
Molecular FormulaC24H20N4O5
Molecular Weight444.4
XLogP2.5
Topological Polar Surface Area121
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity820
SMILES
CC1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/NC2=O
InChI
InChI=1S/C24H20N4O5/c1-15-7-9-17(10-8-15)25-21(29)14-28-22(30)20(26-24(28)33)13-19-6-3-11-27(19)18-5-2-4-16(12-18)23(31)32/h2-13H,14H2,1H3,(H,25,29)(H,26,33)(H,31,32)/b20-13-
InChIKey
BJCKKLXERBMNHP-MOSHPQCFSA-N
Chemical Structure
2D Structure
2D structure of Integrin Antagonists 27
CAS: 593274-97-6
CID: 6148173
Formula: C24H20N4O5
MW: 444.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.4
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass444.14336975
Monoisotopic Mass444.14336975
Topological Polar Surface Area121 Ų
Heavy Atom Count33
Formal Charge0
Complexity820
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS3845333-01Integrin Antagonists 27
MBS131187-01Integrin-Antagonists-27
A20895-25Integrin Antagonists 27 25mg
A20895-2Integrin Antagonists 27 2mg
A20895-1Integrin Antagonists 27 1mg
A20895-50Integrin Antagonists 27 50mg
A20895-10Integrin Antagonists 27 10mg
A20895-5Integrin Antagonists 27 5mg
A20895-100Integrin Antagonists 27 100mg
A20895-10mM-DIntegrin Antagonists 27 10mM * 1mL in DMSO

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