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TG101114

CAT: 0013-GTR19199573-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199573-03Size:100 mg
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Description
TG101114 is a potent and selective inhibitor of the BCR-ABL T315I mutant kinase. It demonstrates significant in vivo efficacy in xenograft models of resistant leukemia, making it a valuable tool compound for studying drug resistance mechanisms in oncology research.
CAS Number
937013-83-7
Smiles
C (=C/C=1C=NC (NC2=CC=C (S (=O) (=O) C3CCNCC3) C=C2) =NC1) \C4=C5C (NC=C5) =CC=C4
Molecular Formula
C25H25N5O2S
Molecular Weight
459.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(E)-5-(2-(1H-indol-4-yl)vinyl)-N-(4-(piperidin-4-ylsulfonyl)phenyl)pyrimidin-2-amine
CAS Number937013-83-7
PubChem CID16662721
IUPAC Name5-[(E)-2-(1H-indol-4-yl)ethenyl]-N-(4-piperidin-4-ylsulfonylphenyl)pyrimidin-2-amine
Molecular FormulaC25H25N5O2S
Molecular Weight459.6
XLogP3.8
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity747
SMILES
C1CNCCC1S(=O)(=O)C2=CC=C(C=C2)NC3=NC=C(C=N3)/C=C/C4=C5C=CNC5=CC=C4
InChI
InChI=1S/C25H25N5O2S/c31-33(32,22-10-13-26-14-11-22)21-8-6-20(7-9-21)30-25-28-16-18(17-29-25)4-5-19-2-1-3-24-23(19)12-15-27-24/h1-9,12,15-17,22,26-27H,10-11,13-14H2,(H,28,29,30)/b5-4+
InChIKey
ZGNXFXYGNJLWMP-SNAWJCMRSA-N
Chemical Structure
2D Structure
2D structure of (E)-5-(2-(1H-indol-4-yl)vinyl)-N-(4-(piperidin-4-ylsulfonyl)phenyl)pyrimidin-2-amine
CAS: 937013-83-7
CID: 16662721
Formula: C25H25N5O2S
MW: 459.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.6
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass459.17289623
Monoisotopic Mass459.17289623
Topological Polar Surface Area108 Ų
Heavy Atom Count33
Formal Charge0
Complexity747
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T24872-01TG101114

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