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Dubermatinib (TP-0903) 2mg

CAT: 0628-A15776-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A15776-2Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1341200-45-0

Chemical Information

Dubermatinib

Dubermatinib is under investigation in clinical trial NCT03572634 (Phase 1/2 Study of TP-0903 (an Inhibitor of AXL Kinase) in Patients With Previously Treated CLL).

CAS Number1341200-45-0
PubChem CID56839178
IUPAC Name2-[[5-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide
Molecular FormulaC24H30ClN7O2S
Molecular Weight516.1
XLogP3.9
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity751
SMILES
CN1CCN(CC1)CC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)N(C)C)Cl
InChI
InChI=1S/C24H30ClN7O2S/c1-30(2)35(33,34)22-7-5-4-6-21(22)28-23-20(25)16-26-24(29-23)27-19-10-8-18(9-11-19)17-32-14-12-31(3)13-15-32/h4-11,16H,12-15,17H2,1-3H3,(H2,26,27,28,29)
InChIKey
YUAALFPUEOYPNX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dubermatinib
CAS: 1341200-45-0
CID: 56839178
Formula: C24H30ClN7O2S
MW: 516.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.1
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass515.1870221
Monoisotopic Mass515.1870221
Topological Polar Surface Area102 Ų
Heavy Atom Count35
Formal Charge0
Complexity751
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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