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CHEBI:234265 - SHP099

ChEBI IDCHEBI:234265
ChEBI NameSHP099
Stars
DefinitionA member of the class of pyrazines that is pyrazine substituted by amino, 2,3-dichlorophenyl, and 4-amino-4-methylpiperidin-1-yl groups at positions 2, 3, and 6, respectively. It is an allosteric SHP2 inhibitor, with IC50s of 0.690, 1.241, 0.416, 1.968, and 2.896 μM for SHP2, SHP2D61Y, SHP2E69K, SHP2A72V, and SHP2E76K.
Last Modified19 May 2025
Submitteraxiao
DownloadsMolfile
FormulaC16H19Cl2N5
Net Charge0
Average Mass352.269
Monoisotopic Mass351.10175
SMILESCC1(N)CCN(c2cnc(-c3cccc(Cl)c3Cl)c(N)n2)CC1
InChIInChI=1S/C16H19Cl2N5/c1-16(20)5-7-23(8-6-16)12-9-21-14(15(19)22-12)10-3-2-4-11(17)13(10)18/h2-4,9H,5-8,20H2,1H3,(H2,19,22)
InChIKeyYGUFCDOEKKVKJK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor  An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor which interferes with the activity of the enzyme protein tyrosine phosphatases (PTPs), EC 3.1.3.48, involved in the removal of phosphate groups from phosphorylated tyrosine residues on proteins.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
SHP099 (CHEBI:234265) has role antineoplastic agent (CHEBI:35610)
SHP099 (CHEBI:234265) has role EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor (CHEBI:35608)
SHP099 (CHEBI:234265) is a aminopiperidine (CHEBI:48588)
SHP099 (CHEBI:234265) is a aromatic amine (CHEBI:33860)
SHP099 (CHEBI:234265) is a dichlorobenzene (CHEBI:23697)
SHP099 (CHEBI:234265) is a pyrazines (CHEBI:38314)
IUPAC Name 
6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
Synonyms  Source
SHP-099SUBMITTER
SHP 099SUBMITTER
6-(4-amino-4-methyl-1-piperidinyl)-3-(2,3-dichlorophenyl)-2-pyrazinamineChEBI
Manual XrefsDatabases
LSM-46200LINCS
HMDB0258274HMDB
5ODPDBeChem
Registry NumbersSources
CAS:1801747-42-1ChEBI
Citations