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SHP099

CAT: 0013-GTR19172138-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172138-01Size:1 mg
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Description
SHP099 is a potent, selective, and orally bioavailable SHP2 inhibitor with cellular activity, demonstrating dose-dependent inhibition of downstream signaling and antitumor efficacy in xenograft models. It is widely used in cancer research to investigate SHP2's role in RAS/MAPK pathway-driven tumors through both in vitro and in vivo studies.
CAS Number
1801747-42-1
Product Name Alternative
Inhibitor, inhibit, Phosphatase, SHP-2, SHP-099, SHP099 free base, SHP099, SHP 099, PERK
Field of Research
Cell Biology, Metabolism Research, Signal Transduction
Purity
98.73% (May vary between batches)
Solubility
DMSO:15.8 mg/mL (44.85 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.84 mM)
Smiles
CC1 (N) CCN (CC1) c1cnc (c (N) n1) -c1cccc (Cl) c1Cl
Molecular Formula
C16H19Cl2N5
Molecular Weight
352.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-(4-Amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine

SHP099 is a 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 M for SHP2, SHP2D61Y, SHP2E69K, SHP2A72V, and SHP2E76K. It has a role as an EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor and an antineoplastic agent. It is a dichlorobenzene, an aromatic amine, a member of pyrazines and an aminopiperidine.

CAS Number1801747-42-1
PubChem CID118238298
IUPAC Name6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
Molecular FormulaC16H19Cl2N5
Molecular Weight352.3
XLogP2.6
Topological Polar Surface Area81.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity402
SMILES
CC1(CCN(CC1)C2=CN=C(C(=N2)N)C3=C(C(=CC=C3)Cl)Cl)N
InChI
InChI=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)
InChIKey
YGUFCDOEKKVKJK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(4-Amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
CAS: 1801747-42-1
CID: 118238298
Formula: C16H19Cl2N5
MW: 352.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.3
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass351.1017510
Monoisotopic Mass351.1017510
Topological Polar Surface Area81.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity402
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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