≥99% 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.
ALK2-IN-4 is a potent ALK2 inhibitor extracted from patent WO2020086963A1, compound Formula I free base
Form:Solid
IC50& Target:ACVR1
| Canonical Smiles | CN1CCN(CC1)C2CCN(CC2)C3=CN4C(=C(C=N4)C5=C6C=C(C(=CC6=NC=C5)F)OC)N=C3 |
|---|---|
| IUPAC Name | 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline |
| InChIKey | UYQADNMBNQEQQG-UHFFFAOYSA-N |
| INCHI | 1S/C26H30FN7O/c1-31-9-11-33(12-10-31)18-4-7-32(8-5-18)19-15-29-26-22(16-30-34(26)17-19)20-3-6-28-24-14-23(27)25(35-2)13-21(20)24/h3,6,13-18H,4-5,7-12H2,1-2H3 |
| Isomeric SMILES | CN1CCN(CC1)C2CCN(CC2)C3=CN4C(=C(C=N4)C5=C6C=C(C(=CC6=NC=C5)F)OC)N=C3 |
| Alternate CAS | 2248154-85-8 |
| PubChem CID | 142464264 |
| Molecular Weight | 475.56 |
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 |
| Class | Quinolines and derivatives |
| Subclass | Haloquinolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Haloquinolines |
| Alternative Parents | Pyrazolo[1,5-a]pyrimidines Dialkylarylamines Anisoles N-methylpiperazines Methylpyridines Aminopyrimidines and derivatives Aminopiperidines Alkyl aryl ethers Hydropyrimidines Secondary ketimines Pyrazoles Heteroaromatic compounds Trialkylamines Vinyl fluorides Propargyl-type 1,3-dipolar organic compounds Hydrazones Fluoroalkenes Enamines Azacyclic compounds Aldimines Organopnictogen compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Haloquinoline - Pyrazolo[1,5-a]pyrimidine - Pyrazolopyrimidine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Anisole - Methylpyridine - N-alkylpiperazine - N-methylpiperazine - Aminopyrimidine - 4-aminopiperidine - Alkyl aryl ether - Benzenoid - Pyrimidine - Pyridine - Piperidine - Piperazine - 1,2-dihydropyrimidine - Hydropyrimidine - 1,4-diazinane - Heteroaromatic compound - Secondary ketimine - Pyrazole - Azole - Tertiary aliphatic amine - Tertiary amine - Ketimine - Azacycle - Fluoroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl fluoride - Hydrazone - Ether - Enamine - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Imine - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom. |
| External Descriptors | Not available |
| Solubility | DMSO : 10 mg/mL (21.03 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 475.600 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| Exact Mass | 475.25 Da |
| Monoisotopic Mass | 475.25 Da |
| Topological Polar Surface Area | 62.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 701.000 |
| 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 |
