≥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.
CSF1R-IN-1 is a CSF1R inhibitor with an with an IC 50 of 0.5 nM.
In Vitro
CSF1R is thought to play an important role in recruitment and differentiation of tumor-associated macrophages (TAMs). CSF1R-IN-1 (compound 22) shows good intestinal permeability in a Caco2 assay. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
CSF1R-IN-1 has favorable pharmacokinetics when dosed orally to mice. It appears suitable for in vivo pharmacology testing in the appropriate preclinical tumor model to demonstrate proof of concept. . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male CD-1 mice, 25-35 grams (8-11 weeks old) Dosage: 2 mg/kg IV or 10 mg/kg orally (Per Os) Administration: i.v. or oral Result: I.V.: C max =3.55, T 1/2 =0.87\nP.O.: C max =4.6, T 1/2 =1.8, Bioavailability=64%
Form:Solid
IC50& Target:IC50: 0.5 nM (CSF1R)
| Sorrisi canonici | CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC(=O)C3=CN=CC(=C3)C4=CN(N=C4)C |
|---|---|
| IUPAC Name | 5-(1-methylpyrazol-4-yl)-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyridine-3-carboxamide |
| InChIKey | BMEXIUCHJUGPRB-UHFFFAOYSA-N |
| INCHI | 1S/C25H20F3N5O2/c1-15-6-7-21(31-23(34)16-4-3-5-20(9-16)25(26,27)28)10-22(15)32-24(35)18-8-17(11-29-12-18)19-13-30-33(2)14-19/h3-14H,1-2H3,(H,31,34)(H,32,35) |
| Isomeri SMILES | CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)NC(=O)C3=CN=CC(=C3)C4=CN(N=C4)C |
| PubChem CID | 137333440 |
| Peso molecolare | 479.5 |
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 | Benzenoids |
| Classe | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Aromatic anilides |
| Direct Parent | Benzanilides |
| Alternative Parents | Pyrazolylpyridines Trifluoromethylbenzenes Nicotinamides Diaminotoluenes Benzamides Benzoyl derivatives Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzanilide - 3-pyrazolylpyridine - Trifluoromethylbenzene - Diaminotoluene - Pyridine carboxylic acid or derivatives - Pyridinecarboxamide - Nicotinamide - Benzoic acid or derivatives - Benzamide - Benzoyl - Toluene - Pyridine - Heteroaromatic compound - Pyrazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Solubilità | DMSO : 83.33 mg/mL (173.80 mM; Need ultrasonic) |
|---|---|
| Peso molecolare | 479.500 g/mol |
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 479.157 Da |
| Monoisotopic Mass | 479.157 Da |
| Topological Polar Surface Area | 88.900 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 751.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
