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αvβ6 integrin inhibitor 2

CAT: 0931-T79140-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T79140-01Size:5 mg
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CAS Number
313709-47-6
Target
Integrin
Related Pathways
Cytoskeletal Signaling
Bioactivity
αvβ6 Integrin Inhibitor 2 is a potent inhibitor of αvβ6 integrin, demonstrating an inhibition concentration (IC50) of 96.5 nM.
Smiles
C(=O)(N1CCC(C=2NC=3C(=CC2)CCCN3)CC1)C4CCN(CC(O)=O)CC4
Molecular Formula
C21H30N4O3
Molecular Weight
386.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[4-[4-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid
CAS Number313709-47-6
PubChem CID9952157
IUPAC Name2-[4-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid
Molecular FormulaC21H30N4O3
Molecular Weight386.5
XLogP-0.6
Topological Polar Surface Area85.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity556
SMILES
C1CC2=C(NC1)N=C(C=C2)C3CCN(CC3)C(=O)C4CCN(CC4)CC(=O)O
InChI
InChI=1S/C21H30N4O3/c26-19(27)14-24-10-5-17(6-11-24)21(28)25-12-7-15(8-13-25)18-4-3-16-2-1-9-22-20(16)23-18/h3-4,15,17H,1-2,5-14H2,(H,22,23)(H,26,27)
InChIKey
PXCDLNHWUADGIZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[4-[4-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetic acid
CAS: 313709-47-6
CID: 9952157
Formula: C21H30N4O3
MW: 386.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.5
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass386.23179083
Monoisotopic Mass386.23179083
Topological Polar Surface Area85.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity556
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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Alternative Products

CatalogName
HY-153807αvβ6 integrin inhibitor 2
045863Integrin alpha V beta 6
PX-P4748-50Integrin alpha-V (ITGAV) & Integrin beta-6 (ITGB6)
MBS838523-01Integrin alpha V beta 6 antibody
bs-5791R-01Integrin Alpha V + Beta 6 Antibody
GT15948Purified anti-human Integrin αVβ6
GT15952PE anti-human Integrin αVβ6
GT06321Purified anti-mouse Integrin αVβ6
CK-bio-25567-01Human Integrin αVβ6 (ITG αVβ3) ELISA Kit
483760ITGAV (Integrin Alpha-V, Integrin Subunit Alpha V)

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