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Dalmelitinib

CAT: 0931-T62911-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T62911-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1637658-98-0
Target
Others, c-Met/HGFR
Related Pathways
Tyrosine Kinase/Adaptors, Others
Bioactivity
Dalmelitinib is a selective, orally active c-Met kinase inhibitor (IC50: 2.9 nM) that binds the ATP-binding region of c-Met. Dalmelitinib induces phosphorylation of MET and partially or completely inhibits phosphorylation of AKT and ERK. dalmelitinib exhibits a potent inhibitory effect on the proliferation of cancer cells (c-Met oncogene amplification) and can be used in cancer research (e.g. non-small cell lung cancer) .
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Alternative Products

CatalogName
GTR19185660-01Dalmelitinib

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