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CRT0273750

CAT: 0013-GTR19171448-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171448-01Size:5 mg
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Description
CRT0273750 is a potent autotaxin (ATX) inhibitor with an IC50 of 14 nM, effectively modulating lysophosphatidic acid (LPA) levels. This small molecule is a valuable research tool for investigating the ATX-LPA axis in oncology, fibrosis, and inflammation, suitable for both in vitro biochemical assays and in vivo pharmacological studies.
CAS Number
1979939-16-6
Product Name Alternative
CRT 0273750, CRT-0273750, CRT0273750, clearance, blood, ATX (autotaxin), ATX/LPA, 4T1, LPA, inhibit, Inhibitor
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
99.49% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween-80+45% Saline:3.3 mg/mL (6.56 mM) ; DMSO:200 mg/mL (397.68 mM)
Smiles
C[C@H] (NC (=O) CCc1nc2cccnc2n1Cc1ccc (OC (F) (F) F) cc1) c1ccc (Cl) cc1
Molecular Formula
C25H22ClF3N4O2
Molecular Weight
502.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cambritaxestat

Cambritaxestat is an autotaxin inhibitor.

CAS Number1979939-16-6
PubChem CID122199235
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
Molecular FormulaC25H22ClF3N4O2
Molecular Weight502.9
XLogP5.5
Topological Polar Surface Area69
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity684
SMILES
C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)CCC2=NC3=C(N2CC4=CC=C(C=C4)OC(F)(F)F)N=CC=C3
InChI
InChI=1S/C25H22ClF3N4O2/c1-16(18-6-8-19(26)9-7-18)31-23(34)13-12-22-32-21-3-2-14-30-24(21)33(22)15-17-4-10-20(11-5-17)35-25(27,28)29/h2-11,14,16H,12-13,15H2,1H3,(H,31,34)/t16-/m0/s1
InChIKey
HXYXHSDYBDFOFO-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Cambritaxestat
CAS: 1979939-16-6
CID: 122199235
Formula: C25H22ClF3N4O2
MW: 502.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight502.9
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass502.1383381
Monoisotopic Mass502.1383381
Topological Polar Surface Area69 Ų
Heavy Atom Count35
Formal Charge0
Complexity684
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA5464-25CRT0273750

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