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JBJ-04-125-02

CAT: 1410-M21870-01Size: 1 EachDry Ice: NoHazardous: No
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Description
JBJ-04-125-02 (0-1000 nM; 72 hours; H1975 cells) treatment could inhibit cell proliferation of H1975 cells at low nanomolar concentrations.
CAS Number
2060610-53-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
543.61
Molecular Formula
C₂₉H₂₆FN₅O₃S
Notes
Research use only, not for human use.
Receptor
EGFR (L858R/T790M)

Chemical Information

(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide
CAS Number2060610-53-7
PubChem CID124173751
IUPAC Name(2R)-2-(5-fluoro-2-hydroxyphenyl)-2-[3-oxo-5-(4-piperazin-1-ylphenyl)-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
Molecular FormulaC29H26FN5O3S
Molecular Weight543.6
XLogP3.8
Topological Polar Surface Area126
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity870
SMILES
C1CN(CCN1)C2=CC=C(C=C2)C3=CC4=C(CN(C4=O)[C@H](C5=C(C=CC(=C5)F)O)C(=O)NC6=NC=CS6)C=C3
InChI
InChI=1S/C29H26FN5O3S/c30-21-5-8-25(36)24(16-21)26(27(37)33-29-32-11-14-39-29)35-17-20-2-1-19(15-23(20)28(35)38)18-3-6-22(7-4-18)34-12-9-31-10-13-34/h1-8,11,14-16,26,31,36H,9-10,12-13,17H2,(H,32,33,37)/t26-/m1/s1
InChIKey
VHQVOTINPRYDAO-AREMUKBSSA-N
Chemical Structure
2D Structure
2D structure of (2R)-2-(5-fluoro-2-hydroxyphenyl)-2-{1-oxo-6-[4-(piperazin-1-yl)phenyl]-1,3-dihydro-2H-isoindol-2-yl}-N-(1,3-thiazol-2-yl)acetamide
CAS: 2060610-53-7
CID: 124173751
Formula: C29H26FN5O3S
MW: 543.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight543.6
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass543.17403904
Monoisotopic Mass543.17403904
Topological Polar Surface Area126 Ų
Heavy Atom Count39
Formal Charge0
Complexity870
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-135805JBJ-04-125-02
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A22141-50(Rac) -JBJ-04-125-02 50mg
A22141-5(Rac) -JBJ-04-125-02 5mg
A22141-1(Rac) -JBJ-04-125-02 1mg
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