GSK-3008348 HCl

CAT: 0957-E1558-5mgSize: 5 mgDry Ice: NoHazardous: No

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CAT#:0957-E1558-5mgSize:5 mg

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CAS Number

1629249-33-7

Target

Integrin

Applications

Cytoskeletal Signaling

Molecular Formula

C29H37N5O2

Additionnal Information

GSK-3008348 HCl is a small molecule antagonist of integrin αvβ6 with an affinity (pIC50) value of 8.1 for αvβ6 in cell Adhesion assays.

Chemical Information

Gsk3008348 free base

CAS Number	1629249-33-7
PubChem CID	86272865
IUPAC Name	(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]butanoic acid
Molecular Formula	C29H37N5O2
Molecular Weight	487.6
XLogP	2.4
Topological Polar Surface Area	83.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	36
Formal Charge	0
Complexity	722

SMILES

CC1=CC(=NN1C2=CC=CC(=C2)[C@H](CC(=O)O)CN3CC[C@H](C3)CCC4=NC5=C(CCCN5)C=C4)C

InChI

InChI=1S/C29H37N5O2/c1-20-15-21(2)34(32-20)27-7-3-5-24(16-27)25(17-28(35)36)19-33-14-12-22(18-33)8-10-26-11-9-23-6-4-13-30-29(23)31-26/h3,5,7,9,11,15-16,22,25H,4,6,8,10,12-14,17-19H2,1-2H3,(H,30,31)(H,35,36)/t22-,25-/m1/s1

InChIKey

ZMXBIIQMSGOIRZ-RCZVLFRGSA-N

Chemical Structure

2D Structure

CAS: 1629249-33-7

CID: 86272865

Formula: C29H37N5O2

MW: 487.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	487.6
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	487.29472544
Monoisotopic Mass	487.29472544
Topological Polar Surface Area	83.3 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	722
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
MBS5773861	GSK-3008348
HY-19767-01	GSK 3008348
HY-19767A-01	GSK 3008348 (hydrochloride)
C01734-25mg	GSK-3008348 HCl
MBS3602440-01	GSK-3008348 hydrochloride
MBS5755001	GSK 3008348 hydrochloride
T25471-01	GSK-A
MBS131437	GSK163090 (GSK-163090; GSK 163090)
MBS131519	GSK369796 (GSK-369796, GSK 369796)
A3450-5.1	GSK-923295

GSK-3008348 HCl

Chemical Information

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