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Integrin modulator 1

CAT: 0804-HY-134130-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-134130-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Integrin modulator 1 is a potent and selective α4β1 integrin agonist, with an IC50 of 9.8 nM for RGD-binding α4β1. Integrin modulator 1 increases cell adhesion mediated by α4β1 integrin, with an EC50 of 12.9 nM[1].
CAS Number
2023788-32-9
UNSPSC
12352005
Target
Integrin
Type
Reference compound
Related Pathways
Cytoskeleton
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/integrin-modulator-1.html
Purity
99.80
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(CC(N1C(NC2=CC=CC=C2C)=O)CC1=O)O
Molecular Formula
C13H14N2O4
Molecular Weight
262.26
References & Citations
[1]Baiula M, et, al. New β-Lactam Derivatives Modulate Cell Adhesion and Signaling Mediated by RGD-Binding and Leukocyte Integrins. J Med Chem. 2016 Nov 10;59 (21) :9721-9742.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
α4β1

Chemical Information

Integrin modulator 1
CAS Number2023788-32-9
PubChem CID154734317
IUPAC Name2-[1-[(2-methylphenyl)carbamoyl]-4-oxoazetidin-2-yl]acetic acid
Molecular FormulaC13H14N2O4
Molecular Weight262.26
XLogP0.5
Topological Polar Surface Area86.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity396
SMILES
CC1=CC=CC=C1NC(=O)N2C(CC2=O)CC(=O)O
InChI
InChI=1S/C13H14N2O4/c1-8-4-2-3-5-10(8)14-13(19)15-9(6-11(15)16)7-12(17)18/h2-5,9H,6-7H2,1H3,(H,14,19)(H,17,18)
InChIKey
NMHXECODTXNHIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Integrin modulator 1
CAS: 2023788-32-9
CID: 154734317
Formula: C13H14N2O4
MW: 262.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight262.26
XLogP30.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass262.09535693
Monoisotopic Mass262.09535693
Topological Polar Surface Area86.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity396
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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