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Dalmelitinib

CAT: 0013-GTR19185660-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185660-03Size:100 mg
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Description
Dalmelitinib is a potent and selective oral c-Met kinase inhibitor (IC50: 2.9 nM) that targets the ATP-binding site. It inhibits downstream AKT and ERK signaling, suppressing the proliferation of c-Met-driven cancer cells. This compound is a valuable research tool for studying cancers like non-small cell lung cancer in both in vitro and in vivo models.
CAS Number
1637658-98-0
Field of Research
Signal Transduction
Smiles
S (C1=CC2=C3C (=CN=C2C=C1) N (C) C (=O) CO3) C=4N5C (=NN4) C (F) =CC (=C5) C6=CN (C) N=C6
Molecular Formula
C22H16FN7O2S
Molecular Weight
461.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dalmelitinib

Dalmelitinib is a small molecule drug. The usage of the INN stem '-tinib' in the name indicates that Dalmelitinib is a tyrosine kinase inhibitor. Dalmelitinib has a monoisotopic molecular weight of 461.11 Da.

CAS Number1637658-98-0
PubChem CID86302574
IUPAC Name9-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-4-methyl-[1,4]oxazino[3,2-c]quinolin-3-one
Molecular FormulaC22H16FN7O2S
Molecular Weight461.5
XLogP3
Topological Polar Surface Area116
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count33
Formal Charge0
Complexity752
SMILES
CN1C=C(C=N1)C2=CN3C(=NN=C3SC4=CC5=C6C(=CN=C5C=C4)N(C(=O)CO6)C)C(=C2)F
InChI
InChI=1S/C22H16FN7O2S/c1-28-9-13(7-25-28)12-5-16(23)21-26-27-22(30(21)10-12)33-14-3-4-17-15(6-14)20-18(8-24-17)29(2)19(31)11-32-20/h3-10H,11H2,1-2H3
InChIKey
MFEXYTURXUZOID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dalmelitinib
CAS: 1637658-98-0
CID: 86302574
Formula: C22H16FN7O2S
MW: 461.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.5
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass461.10702211
Monoisotopic Mass461.10702211
Topological Polar Surface Area116 Ų
Heavy Atom Count33
Formal Charge0
Complexity752
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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CatalogName
BA8890-100Dalmelitinib

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