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
SPI-112 SPI-112 is a not cell permeable inhibitor of Src homology region 2 domain-containing phosphatase 2 (SHP-2, PTPN11) with IC50 of 1 μM in cell-free assay.
Targets
SHP-2 (Cell-free assay) 1 μM
| ALogP | 2.859 |
|---|---|
| Conteggio HBD | 3 |
| Legame rotabile | 7 |
| Pubchem Sid | 528767164 |
|---|---|
| Sorrisi canonici | C1=CC(=CC(=C1)N=NC2=C(NC3=C2C=C(C=C3)S(=O)(=O)NCC4=CC=C(C=C4)F)O)C(=O)O |
| IUPAC Name | 3-[[5-[(4-fluorophenyl)methylsulfamoyl]-2-hydroxy-1H-indol-3-yl]diazenyl]benzoic acid |
| InChIKey | ZSXZSNNAEVDPNL-UHFFFAOYSA-N |
| INCHI | 1S/C22H17FN4O5S/c23-15-6-4-13(5-7-15)12-24-33(31,32)17-8-9-19-18(11-17)20(21(28)25-19)27-26-16-3-1-2-14(10-16)22(29)30/h1-11,24-25,28H,12H2,(H,29,30) |
| Isomeri SMILES | C1=CC(=CC(=C1)N=NC2=C(NC3=C2C=C(C=C3)S(=O)(=O)NCC4=CC=C(C=C4)F)O)C(=O)O |
| PubChem CID | 135924028 |
| Peso molecolare | 468.46 |
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 |
| Classe | Indoles and derivatives |
| Subclass | Hydroxyindoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Hydroxyindoles |
| Alternative Parents | Indoles Benzoic acids Benzoyl derivatives Fluorobenzenes Substituted pyrroles Organosulfonamides Aryl fluorides Heteroaromatic compounds Aminosulfonyl compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Hydroxyindole - Indole - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Halobenzene - Fluorobenzene - Benzenoid - Organosulfonic acid amide - Substituted pyrrole - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Azo compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl 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) Solubilità massima | 94 |
|---|---|
| DMSO (mM) Solubilità massima | 200.657473423558 |
| Acqua (mg/mL) Solubilità massima | ＜1 |
| Peso molecolare | 468.500 g/mol |
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 468.09 Da |
| Monoisotopic Mass | 468.09 Da |
| Topological Polar Surface Area | 153.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 814.000 |
| 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 |
