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Debio 0617B

CAT: 0013-GTR19184968-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184968-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Debio 0617B is a multi-kinase inhibitor targeting JAK, ABL, SRC, and class III/V RTKs upstream of STAT3/STAT5. It impairs maintenance and self-renewal of human AML stem/progenitor cells in vitro and is a research tool for studying STAT3-driven malignancies, including solid tumors, in preclinical models.
CAS Number
1332329-27-7
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Smiles
ClC=1C (N2CC=3C (CC2) =NC (NC4=CC=C (C (NC) =O) C=C4) =NC3) =CC (NC (=O) C5=CC (C (F) (F) F) =CC=N5) =CC1
Molecular Formula
C28H23ClF3N7O2
Molecular Weight
581.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Debio 0617B
CAS Number1332329-27-7
PubChem CID67328148
IUPAC NameN-[4-chloro-3-[2-[4-(methylcarbamoyl)anilino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
Molecular FormulaC28H23ClF3N7O2
Molecular Weight582.0
XLogP4.7
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity906
SMILES
CNC(=O)C1=CC=C(C=C1)NC2=NC=C3CN(CCC3=N2)C4=C(C=CC(=C4)NC(=O)C5=NC=CC(=C5)C(F)(F)F)Cl
InChI
InChI=1S/C28H23ClF3N7O2/c1-33-25(40)16-2-4-19(5-3-16)37-27-35-14-17-15-39(11-9-22(17)38-27)24-13-20(6-7-21(24)29)36-26(41)23-12-18(8-10-34-23)28(30,31)32/h2-8,10,12-14H,9,11,15H2,1H3,(H,33,40)(H,36,41)(H,35,37,38)
InChIKey
FLJSOYXRJCMRAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Debio 0617B
CAS: 1332329-27-7
CID: 67328148
Formula: C28H23ClF3N7O2
MW: 582.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight582.0
XLogP34.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass581.1553852
Monoisotopic Mass581.1553852
Topological Polar Surface Area112 Ų
Heavy Atom Count41
Formal Charge0
Complexity906
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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