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SOMG-833 HCl

CAT: 0013-GTR19199625-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199625-01Size:25 mg
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Description
SOMG-833 HCl is a potent and selective c-MET inhibitor that suppresses tumor growth by blocking c-MET-dependent signaling pathways. Its antitumor activity has been demonstrated in both in vitro cellular assays and in vivo xenograft models, supporting its use in cancer research, particularly for studying c-MET-driven oncogenesis.
CAS Number
1268264-10-3
Field of Research
Signal Transduction
Smiles
N (CC1=CC (N (=O) =O) =CC=C1) C=2C3=C (C=C (C (F) (F) F) C2) N=CC (=C3) N4CCN (C) CC4
Molecular Formula
C22H22F3N5O2
Molecular Weight
445.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Zgwatinib
CAS Number1268264-10-3
PubChem CID50997095
IUPAC Name3-(4-methylpiperazin-1-yl)-N-[(3-nitrophenyl)methyl]-7-(trifluoromethyl)quinolin-5-amine
Molecular FormulaC22H22F3N5O2
Molecular Weight445.4
XLogP4.3
Topological Polar Surface Area77.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity638
SMILES
CN1CCN(CC1)C2=CC3=C(C=C(C=C3NCC4=CC(=CC=C4)[N+](=O)[O-])C(F)(F)F)N=C2
InChI
InChI=1S/C22H22F3N5O2/c1-28-5-7-29(8-6-28)18-12-19-20(10-16(22(23,24)25)11-21(19)27-14-18)26-13-15-3-2-4-17(9-15)30(31)32/h2-4,9-12,14,26H,5-8,13H2,1H3
InChIKey
JIYPGFPFAVEPFX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Zgwatinib
CAS: 1268264-10-3
CID: 50997095
Formula: C22H22F3N5O2
MW: 445.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.4
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass445.17255945
Monoisotopic Mass445.17255945
Topological Polar Surface Area77.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity638
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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