ATX inhibitor 26

CAT: 0931-T207167-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T207167-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2940248-11-1

Target

PDE, JNK, ERK, p38 MAPK

Related Pathways

Metabolism, MAPK

Bioactivity

ATX inhibitor 26 is an Autotaxin (ATX) inhibitor with an IC50 of 57 nM in human plasma. It effectively inhibits cell migration and collagen gel contraction. Additionally, ATX inhibitor 26 demonstrates significant antifibrotic activity, reducing collagen deposition in a Bleomycin (BLM) -induced pulmonary fibrosis model.

Smiles

O=C(OCC=1C=C(Cl)C=C(Cl)C1)N2CCC(C3=NN=C(O3)NCC4=CN=NN4)CC2

Molecular Formula

C18H19Cl2N7O3

Molecular Weight

452.3

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

ATX inhibitor 26

CAS Number	2940248-11-1
PubChem CID	167528016
IUPAC Name	(3,5-dichlorophenyl)methyl 4-[5-(2H-triazol-4-ylmethylamino)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
Molecular Formula	C18H19Cl2N7O3
Molecular Weight	452.3
XLogP	2.5
Topological Polar Surface Area	122
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	30
Formal Charge	0
Complexity	560

SMILES

C1CN(CCC1C2=NN=C(O2)NCC3=NNN=C3)C(=O)OCC4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C18H19Cl2N7O3/c19-13-5-11(6-14(20)7-13)10-29-18(28)27-3-1-12(2-4-27)16-24-25-17(30-16)21-8-15-9-22-26-23-15/h5-7,9,12H,1-4,8,10H2,(H,21,25)(H,22,23,26)

InChIKey

LMCWDXBBYKLXFJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2940248-11-1

CID: 167528016

Formula: C18H19Cl2N7O3

MW: 452.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	452.3
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	451.0926429
Monoisotopic Mass	451.0926429
Topological Polar Surface Area	122 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	560
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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T63829-01	ATX inhibitor 20
T63584-01	ATX inhibitor 12
T205686-01	ATX inhibitor 25
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ATX inhibitor 26

Chemical Information

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