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Moligand™,≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged 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.
SMN-C3 is an orally active SMN2 splicing modulator and has the potential to treat spinal muscular atrophy (SMA).
In Vivo
At P16, vehicle treated D7 mice are much smaller than heterozygous littermate controls and appear moribund. In contrast, D7 mice treated with the high dose of SMN-C3 show a phenotype similar to that of heterozygous controls. SMN-C3 treatment induces a dose-dependent bodyweight gain in the D7 mice, with some animals showing a body weight that is ~80% that of heterozygous controls. SMN-C3 normalizes the motor behavior of D7 mice, illustrated by the ability of the mice to right themselves as quickly as heterozygous controls and by their level of locomotor activity. Most importantly, whereas vehicle-treated mice die within 3 weeks after birth with a median survival of 18 days, SMN-C3 treatment increases survival in a dose-dependent manner to a median survival time of 28 days in the low-dose (0.3 mg/kg per day) group. In the two higher-dose groups (1 and 3 mg/kg per day), ~90% of animals survive beyond P65 when the study is completed . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:SMN
| Canonical Smiles | CCN1CCC(CC1)C2=CN3C(=O)C=C(N=C3C(=C2)C)C4=NN5C=C(N=C(C5=C4)C)C |
|---|---|
| IUPAC Name | 2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one |
| InChIKey | ZACWYYKZMLGOTG-UHFFFAOYSA-N |
| INCHI | 1S/C24H28N6O/c1-5-28-8-6-18(7-9-28)19-10-15(2)24-26-20(12-23(31)29(24)14-19)21-11-22-17(4)25-16(3)13-30(22)27-21/h10-14,18H,5-9H2,1-4H3 |
| Isomeric SMILES | CCN1CCC(CC1)C2=CN3C(=O)C=C(N=C3C(=C2)C)C4=NN5C=C(N=C(C5=C4)C)C |
| Alternate CAS | 1449597-34-5 |
| PubChem CID | 89741632 |
| Molecular Weight | 416.52 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridopyrimidines |
| Alternative Parents | Pyrimidones Methylpyridines Aralkylamines Pyrazines Piperidines Pyrazoles Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyridopyrimidine - Methylpyridine - Aralkylamine - Pyrimidone - Piperidine - Pyrazine - Pyrimidine - Pyridine - Azole - Heteroaromatic compound - Pyrazole - Lactam - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
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| Solubility | DMSO : 2.22 mg/mL (5.33 mM; ultrasonic and warming and heat to 60°C) |
|---|---|
| Molecular Weight | 416.500 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 416.232 Da |
| Monoisotopic Mass | 416.232 Da |
| Topological Polar Surface Area | 66.100 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 865.000 |
| 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 |
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