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IACS-13909

CAT: 0804-HY-137092-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-137092-01Size:5 mg
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Description
IACS-13909 is a selective, potent and orally active SHP2 allosteric inhibitor with an IC50 of 15.7 nM and a Kd of 32 nM. IACS-13909 is more selective for SHP2 than other phosphatases (including SHP1) . IACS-13909 has antitumor activities and suppresses MAPK pathway signaling in receptor tyrosine kinases (RTK) -dependent cancers[1].
CAS Number
2160546-07-4
UNSPSC
12352005
Target
Phosphatase; SHP2
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/iacs-13909.html
Concentration
10mM
Purity
99.97
Solubility
DMSO : 10 mg/mL (ultrasonic)
Smiles
NC1(C)CCN(C2=CN=C3C(NN=C3C4=CC=CC(Cl)=C4Cl)=N2)CC1
Molecular Formula
C17H18Cl2N6
Molecular Weight
377.27
References & Citations
[1]Yuting Sun, et al. Allosteric SHP2 Inhibitor, IACS-13909, Overcomes EGFR-Dependent and EGFR-Independent Resistance Mechanisms toward Osimertinib. Cancer Res. 2020 Nov 1;80 (21) :4840-4853.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CAS Number2160546-07-4
PubChem CID132166923
IUPAC Name1-[3-(2,3-dichlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
Molecular FormulaC17H18Cl2N6
Molecular Weight377.3
XLogP3
Topological Polar Surface Area83.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity472
SMILES
CC1(CCN(CC1)C2=NC3=NNC(=C3N=C2)C4=C(C(=CC=C4)Cl)Cl)N
InChI
InChI=1S/C17H18Cl2N6/c1-17(20)5-7-25(8-6-17)12-9-21-15-14(23-24-16(15)22-12)10-3-2-4-11(18)13(10)19/h2-4,9H,5-8,20H2,1H3,(H,22,23,24)
InChIKey
AMADCPJVPLUGQO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CAS: 2160546-07-4
CID: 132166923
Formula: C17H18Cl2N6
MW: 377.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.3
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass376.0970000
Monoisotopic Mass376.0970000
Topological Polar Surface Area83.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity472
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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Alternative Products

CatalogName
BA8095-10IACS-13909
A22159-100IACS-13909 100mg
A22159-10IACS-13909 10mg
A22159-50IACS-13909 50mg
A22159-5IACS-13909 5mg
A22159-25IACS-13909 25mg
A22159-1IACS-13909 1mg
S9703-25mgBBP- 398 (IACS-13909)
A22159-10mM-DIACS-13909 10mM * 1mL in DMSO

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