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SHP2-IN-34

CAT: 0804-HY-169918Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-169918Size:1 Each
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Description
SHP2-IN-34 (compound A8) is a phenyl urea SHP2 inhibitor with anti-cancer activity. SHP2-IN-34 significantly suppresses tumor growth in CT26 mouse model[1].
CAS Number
2924065-12-1
UNSPSC
12352005
Target
SHP2
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/shp2-in-34.html
Smiles
O=C(NC1=C(Cl)C(SC2=NC=C(N3CCC(C)(CC3)N)N=C2N)=CC=C1)NC4=CC(Cl)=CC=C4
Molecular Formula
C23H25Cl2N7OS
Molecular Weight
518.46
References & Citations
[1]Wang K, et al. Discovery of novel phenyl urea SHP2 inhibitors with anti-colon cancer and potential immunomodulatory effects. Eur J Med Chem. 2025 Jan 5;281:117036.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Shp2-IN-34
CAS Number2924065-12-1
PubChem CID172677397
IUPAC Name1-[3-[3-amino-5-(4-amino-4-methylpiperidin-1-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-3-(3-chlorophenyl)urea
Molecular FormulaC23H25Cl2N7OS
Molecular Weight518.5
XLogP3.9
Topological Polar Surface Area147
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity684
SMILES
CC1(CCN(CC1)C2=CN=C(C(=N2)N)SC3=CC=CC(=C3Cl)NC(=O)NC4=CC(=CC=C4)Cl)N
InChI
InChI=1S/C23H25Cl2N7OS/c1-23(27)8-10-32(11-9-23)18-13-28-21(20(26)31-18)34-17-7-3-6-16(19(17)25)30-22(33)29-15-5-2-4-14(24)12-15/h2-7,12-13H,8-11,27H2,1H3,(H2,26,31)(H2,29,30,33)
InChIKey
REDIXOPSFHVTOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Shp2-IN-34
CAS: 2924065-12-1
CID: 172677397
Formula: C23H25Cl2N7OS
MW: 518.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight518.5
XLogP33.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass517.1218350
Monoisotopic Mass517.1218350
Topological Polar Surface Area147 Ų
Heavy Atom Count34
Formal Charge0
Complexity684
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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