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JIB-04

JIB-04 structure

CAS No:
199596-05-9
Formula:
C17H13ClN4
Chemical Name:
JIB-04
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
Categories:
Biochemical Engineering > Inhibitors

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.

JIB-04 Basic Attributes

Molecular Weight：

308.76492

Exact Mass：

308.082886

EC Number：

-0

Characteristics

PSA：

50.2

XLogP3：

4.6

Appearance：

white to beige

Density：

1.24±0.1 g/cm3(Predicted)

Boiling Point：

472.9±55.0 °C(Predicted)

Flash Point：

239.8±31.5 °C

Refractive Index：

1.644

Water Solubility：

DMSO: soluble10mg/mL, clear

Storage Conditions：

2-8°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

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