JIB-04
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JIB-04
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CAS No:
199596-05-9
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Formula:
C17H13ClN4
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Chemical Name:
JIB-04
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Synonyms:
JIB-04;JIB-04(NSC 693627);JIB04/JIB-04;5-Chloro-2(1H)-pyridinone (2E)-(phenyl-2-pyridinylmethylene)hydrazone;5-Chloro-2-[(E)-2-[phenyl(pyridin-2-yl)methylidene]hydrazin-1-yl]pyridine;NSC 693627;5-Chloro-2(1H)-pyridinone (2E)-(phenyl-2-pyridinylmethylene)hydrazoneJIB-04(NSC 693627);JIB-045-Chloro-2(1H)-pyridinone (2E)-(phenyl-2-pyridinylmethylene)hydrazone
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CAS No:
Description
JIB-04 is a pan-selective Jumonji histone demethylase inihibitor with IC50s of 230, 340, 855, 445, 435, 1100, and 290 nM for JARID1A, JMJD2E, JMJD3, JMJD2A, JMJD2B, JMJD2C, and JMJD2D, respectively.
Characteristics
50.2
4.6
white to beige
1.24±0.1 g/cm3(Predicted)
472.9±55.0 °C(Predicted)
239.8±31.5 °C
1.644
DMSO: soluble10mg/mL, clear
2-8°C
Computed Properties
Molecular Weight:308.8
XLogP3:4.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:308.0828741
Monoisotopic Mass:308.0828741
Topological Polar Surface Area:50.2
Heavy Atom Count:22
Complexity:368
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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