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TK-642

CAT: 0013-GTR19233977-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233977-01Size:25 mg
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Description
TK-642 is a potent, orally active SHP2 inhibitor (IC50 = 2.7 nM) derived from pyrazole and pyrazine scaffolds. It suppresses esophageal carcinoma cell proliferation and induces apoptosis in vitro, serving as a valuable chemical probe for studying SHP2-dependent cancer signaling pathways.
CAS Number
2765183-10-4
Field of Research
Metabolism Research
Smiles
ClC=1C=NC=CC1SC2=NNC=3N=C (C=NC23) N4CCC (C) (CN) CC4
Molecular Formula
C17H20ClN7S
Molecular Weight
389.91
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[1-[3-[(3-chloro-4-pyridinyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
CAS Number2765183-10-4
PubChem CID171714381
IUPAC Name[1-[3-[(3-chloro-4-pyridinyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
Molecular FormulaC17H20ClN7S
Molecular Weight389.9
XLogP2.5
Topological Polar Surface Area122
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity476
SMILES
CC1(CCN(CC1)C2=CN=C3C(=N2)NN=C3SC4=C(C=NC=C4)Cl)CN
InChI
InChI=1S/C17H20ClN7S/c1-17(10-19)3-6-25(7-4-17)13-9-21-14-15(22-13)23-24-16(14)26-12-2-5-20-8-11(12)18/h2,5,8-9H,3-4,6-7,10,19H2,1H3,(H,22,23,24)
InChIKey
DLWCPNNOJKLNDF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [1-[3-[(3-chloro-4-pyridinyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-yl]methanamine
CAS: 2765183-10-4
CID: 171714381
Formula: C17H20ClN7S
MW: 389.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.9
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass389.1189425
Monoisotopic Mass389.1189425
Topological Polar Surface Area122 Ų
Heavy Atom Count26
Formal Charge0
Complexity476
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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