10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
Information
IACS-13909 IACS-13909 (BBP-398) is a specific and potent allosteric inhibitor of SHP2 (Src homology 2 domain-containing phosphatase) that suppresses signaling through the MAPK pathway.
Targets
SHP2
In vitro
IACS-13909 is a specific and potent allosteric inhibitor of SHP2 that suppresses signaling through the MAPK pathway. IACS-13909 potently impedes proliferation of tumors harboring a broad spectrum of activated RTKs as the oncogenic driver. IACS-13909 potently suppresses tumor cell proliferation in vitro.
In vivo
In EGFR-mutant osimertinib-resistant NSCLC models with EGFR-dependent and EGFR-independent resistance mechanisms, IACS-13909, administered as a single agent or in combination with osimertinib, causes tumor regression in vivo.
Cell Research(from reference)
Cell lines：KYSE-520 cells
Concentrations：0-10000 nM
Incubation Time：2 h
| ALogP | 3.125 |
|---|---|
| hba_count | 3 |
| Recuento HBD | 2 |
| Enlace rotable | 2 |
| Sonrisas canónicas | CC1(CCN(CC1)C2=NC3=NNC(=C3N=C2)C4=C(C(=CC=C4)Cl)Cl)N |
|---|---|
| IUPAC Name | 1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine |
| InChIKey | AMADCPJVPLUGQO-UHFFFAOYSA-N |
| INCHI | 1S/C17H18Cl2N6/c1-17(20)5-7-25(8-6-17)12-9-21-15-14(23-24-16(15)22-12)10-3-2-4-11(18)13(10)19/h2-4,9H,5-8,20H2,1H3,(H,22,23,24) |
| Isómeros SMILES | CC1(CCN(CC1)C2=NC3=NNC(=C3N=C2)C4=C(C(=CC=C4)Cl)Cl)N |
| Peso molecular | 377.27 |
| Reaxy-Rn | 43015349 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=43015349&ln= |
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 |
| Clase | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Pyrazolo[3,4-b]pyrazines Dichlorobenzenes Dialkylarylamines Aminopyrazines Aminopiperidines Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyrazole - Pyrazolo[3,4-b]pyrazine - Dialkylarylamine - 1,2-dichlorobenzene - Halobenzene - Chlorobenzene - Aminopyrazine - 4-aminopiperidine - Imidolactam - Benzenoid - Pyrazine - Piperidine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| DMSO (mg/ml) Solubilidad máxima | 75 |
|---|---|
| DMSO (mM) Solubilidad máxima | 198.796617806876 |
| Agua (mg/ml) Solubilidad máxima | ＜1 |
| Peso molecular | 377.300 g/mol |
| XLogP3 | 3.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 376.097 Da |
| Monoisotopic Mass | 376.097 Da |
| Topological Polar Surface Area | 83.700 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 472.000 |
| 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 |
