for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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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.
CAL-130 is a novel phosphoinositide 3-kinase (PI3K) inhibitor. It is reported that combined inhibition of PI3Kγ/δ as therapy for T cell acute lymphoblastic leukemia (T-ALL). In the absence of PTEN phosphatase tumor suppressor functi
| Sourires canoniques | CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)C(C)NC4=NC(=NC5=C4NC=N5)N |
|---|---|
| IUPAC Name | 2-[(1S)-1-[(2-amino-7H-purin-6-yl)amino]ethyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one |
| InChIKey | PUYVJBBSBPUKBT-AWEZNQCLSA-N |
| INCHI | 1S/C23H22N8O/c1-12-7-4-5-10-16(12)31-21(28-15-9-6-8-13(2)17(15)22(31)32)14(3)27-20-18-19(26-11-25-18)29-23(24)30-20/h4-11,14H,1-3H3,(H4,24,25,26,27,29,30)/t14-/m0/s1 |
| Isomères SMILES | CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)[C@H](C)NC4=NC(=NC5=C4NC=N5)N |
| PubChem CID | 71576676 |
| Poids moléculaire | 426.47 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Classe | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | 6-aminopurines |
| Direct Parent | 6-alkylaminopurines |
| Alternative Parents | Quinazolines Toluenes Pyrimidones Aminopyrimidines and derivatives Imidolactams Imidazoles Heteroaromatic compounds Lactams Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 6-alkylaminopurine - Quinazoline - Aminopyrimidine - Pyrimidone - Toluene - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Imidazole - Heteroaromatic compound - Azole - Lactam - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 6-alkylaminopurines. These are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. |
| External Descriptors | Not available |
| Solubilité | DMSO |
|---|---|
| Poids moléculaire | 426.500 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 426.192 Da |
| Monoisotopic Mass | 426.192 Da |
| Topological Polar Surface Area | 125.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 731.000 |
| 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 |
