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SHP836

CAT: 0013-GTR19203100-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19203100-02Size:1 ml x 10 mM (in DMSO)
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Description
SHP836 is a cell-permeable, allosteric inhibitor of the full-length SHP2 phosphatase with a reported IC50 of 12 μM. It serves as a valuable research tool for investigating SHP2 signaling in cancer and RASopathies, applicable in both cellular and biochemical assays.
CAS Number
1957276-35-5
Field of Research
Metabolism Research
Smiles
C[C@H]1CN (C[C@@H] (C) N1) c1ncc (c (N) n1) -c1cccc (Cl) c1Cl
Molecular Formula
C16H19Cl2N5
Molecular Weight
352.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-[2,3-Bis(Chloranyl)phenyl]-2-[(3~{r},5~{s})-3,5-Dimethylpiperazin-1-Yl]pyrimidin-4-Amine
CAS Number1957276-35-5
PubChem CID76966642
IUPAC Name5-(2,3-dichlorophenyl)-2-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-amine
Molecular FormulaC16H19Cl2N5
Molecular Weight352.3
XLogP3.4
Topological Polar Surface Area67.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity389
SMILES
C[C@@H]1CN(C[C@@H](N1)C)C2=NC=C(C(=N2)N)C3=C(C(=CC=C3)Cl)Cl
InChI
InChI=1S/C16H19Cl2N5/c1-9-7-23(8-10(2)21-9)16-20-6-12(15(19)22-16)11-4-3-5-13(17)14(11)18/h3-6,9-10,21H,7-8H2,1-2H3,(H2,19,20,22)/t9-,10+
InChIKey
SKFRRNOLFFQBQU-AOOOYVTPSA-N
Chemical Structure
2D Structure
2D structure of 5-[2,3-Bis(Chloranyl)phenyl]-2-[(3~{r},5~{s})-3,5-Dimethylpiperazin-1-Yl]pyrimidin-4-Amine
CAS: 1957276-35-5
CID: 76966642
Formula: C16H19Cl2N5
MW: 352.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight352.3
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass351.1017510
Monoisotopic Mass351.1017510
Topological Polar Surface Area67.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity389
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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