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S32826

CAT: 0013-GTR19189873-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189873-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
S32826 is a potent small molecule autotaxin inhibitor with an IC50 of 8.8 nM, effective against all major isoforms (α, β, γ) and in blocking LPA production in adipocytes. It is a valuable research tool for studying LPA-mediated pathways in oncology, fibrosis, and inflammation in both cellular and animal models.
CAS Number
1096770-84-1
Field of Research
Metabolism Research
Smiles
CCCCCCCCCCCCCC (=O) Nc1ccc (CP (O) (O) =O) cc1
Molecular Formula
C21H36NO4P
Molecular Weight
397.496
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(4-(Tetradecanoylamino)benzyl)phosphonic acid

P-[[4-[(1-oxotetradecyl)amino]phenyl]methyl]-phosphonic acid is an anilide.

CAS Number1096770-84-1
PubChem CID44176227
IUPAC Name[4-(tetradecanoylamino)phenyl]methylphosphonic acid
Molecular FormulaC21H36NO4P
Molecular Weight397.5
XLogP5.3
Topological Polar Surface Area86.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Heavy Atom Count27
Formal Charge0
Complexity430
SMILES
CCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)CP(=O)(O)O
InChI
InChI=1S/C21H36NO4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(23)22-20-16-14-19(15-17-20)18-27(24,25)26/h14-17H,2-13,18H2,1H3,(H,22,23)(H2,24,25,26)
InChIKey
OUXAHVRWFHOKHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-(Tetradecanoylamino)benzyl)phosphonic acid
CAS: 1096770-84-1
CID: 44176227
Formula: C21H36NO4P
MW: 397.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight397.5
XLogP35.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count15
Exact Mass397.23819563
Monoisotopic Mass397.23819563
Topological Polar Surface Area86.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity430
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

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562163S32826
HY-103267-01S32826 (disodium)
T23293-01S32826 disodium
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