≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
CRT0273750 is an autotaxin (ATX) inhibitor and modulates LPA levels in plasm (IC 50 = 0.014 μM). CRT0273750 can be used in ATX/LPA-dependent models of cancer
In Vitro
CRT0273750 shows high potency in both the biochemical (IC 50 = 0.01 μM) and plasma choline release assay(IC 50 = 0.014 μM). CRT0273750 is also shown to inhibit the migration of 4T1 cells with an EC50 of 0.025μM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
CRT0273750 (1 mg/kg; i.v.)has a moderate blood clearance, with value of 41 mL/min/kg . CRT0273750 (10 mg/kg; oral administration) treatment shows the C max , AUC and t 1/2 values of 3.8 µM, 3.2 µM.h and 1.4 h, respectively . CRT0273750 (10, 30 and 100 mg/kg; oral administration) shows a proportional increase . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: CD-1 mice Dosage: 1 mg/kg Administration: I.v. Result: Had a moderate blood clearance. Animal Model: Balb-c nu/nu mice Dosage: 10, 30 and 100 mg/kg Administration: Oral administration (Pharmacokinetic Analysis) Result: The C max s were 3.8, 10.9 and 18.1 µM, respectively. The AUCs were 3.2, 15.2 and 59.3 µM.h, respectively. The t 1/2 s were 1.4, 0.9 and 1.3 h, respectively.
Form:Solid
IC50& Target:IC50: 0.014 μM (plasma CRA)
| Sourires canoniques | CC(C1=CC=C(C=C1)Cl)NC(=O)CCC2=NC3=C(N2CC4=CC=C(C=C4)OC(F)(F)F)N=CC=C3 |
|---|---|
| IUPAC Name | N-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridin-2-yl]propanamide |
| InChIKey | HXYXHSDYBDFOFO-INIZCTEOSA-N |
| 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 |
| Isomères 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 |
| PubChem CID | 122199235 |
| Poids moléculaire | 502.92 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Classe | Imidazopyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Imidazopyridines |
| Alternative Parents | Phenoxy compounds Phenol ethers Chlorobenzenes Pyridines and derivatives N-substituted imidazoles Fatty amides Aryl chlorides Heteroaromatic compounds Trihalomethanes Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Imidazopyridine - Phenoxy compound - Phenol ether - Halobenzene - Chlorobenzene - Fatty acyl - Benzenoid - Pyridine - N-substituted imidazole - Fatty amide - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Imidazole - Azole - Trihalomethane - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Halomethane - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as imidazopyridines. These are organic polycyclic compounds containing an imidazole ring fused to a pyridine ring. Imidazole is 5-membered ring consisting of three carbon atoms, and two nitrogen centers at the 1- and 3-positions. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Solubilité | DMSO : 250 mg/mL (497.10 mM; Need ultrasonic) |
|---|---|
| Poids moléculaire | 502.900 g/mol |
| XLogP3 | 5.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 502.138 Da |
| Monoisotopic Mass | 502.138 Da |
| Topological Polar Surface Area | 69.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 684.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
