ChemicalBook CAS DataBase List 199596-05-9

199596-05-9

Name	JIB-04
CAS	199596-05-9
Molecular Formula	C17H13ClN4
MDL Number	MFCD26936344
Molecular Weight	308.76
MOL File	199596-05-9.mol

Synonyms

JIB-04 CS-1447 NSC 693627 JIB-04 (E) JIB04/JIB-04 JIB-04, >=98% NSC693627 (E) JIB-04 USP/EP/BP JIB-04 >=98% (HPLC) JIB-04 (NSC 693627) JIB-04 (NSC 693627)(E) JIB-04(NSC 693627), >97% JIB-04 (NSC 693627), 199596-05-9(E) NSC693627;JIB04; JIB 04;NSC-693627;JIB-04;JIB04 (E)-5-CHLORO-2-(2-(PHENYL(PYRIDIN-2-YL)METHYLENE)HYDRAZINYL)PYRIDINE 5-Chloro-2(1H)-pyridinone (2E)-(phenyl-2-pyridinylmethylene)hydrazone 5-chloro-n-[(e)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine 5-Chloro-2-[(E)-2-[phenyl(pyridin-2-yl)methylidene]hydrazin-1-yl]pyridine Methanone, phenyl-2-pyridinyl-, 2-(5-chloro-2-pyridinyl)hydrazone, (E,E)- (E)-N-(5-Chloro-pyridin-2-yl)-N′-(phenyl-pyridin-2-yl-methylene)-hydrazine 5-Chloro-2(1H)-pyridinone (2E)-(phenyl-2-pyridinylmethylene)hydrazone JIB-04(NSC 693627) JIB-04 5-Chloro-2(1H)-pyridinone (2E)-(phenyl-2-pyridinylmethylene)hydrazone

Chemical Properties

Boiling point	472.9±55.0 °C(Predicted)
density	1.24±0.1 g/cm3(Predicted)
storage temp.	2-8°C
solubility	DMSO: soluble10mg/mL, clear
form	powder
pka	11.00±0.10(Predicted)
color	white to beige
Stability:	Stable for 1 year from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 2 months.
InChI	InChI=1S/C17H13ClN4/c18-14-9-10-16(20-12-14)21-22-17(13-6-2-1-3-7-13)15-8-4-5-11-19-15/h1-12H,(H,20,21)/b22-17+
InChIKey	YHHFKWKMXWRVTJ-OQKWZONESA-N
SMILES	C(=N/NC1=NC=C(Cl)C=C1)(/C1=CC=CC=C1)\C1=NC=CC=C1

Safety Data

WGK Germany	3
Storage Class	11 - Combustible Solids

Hazard Information

Description

JIB-04 (199596-05-9) is a novel specific inhibitor of the Jumonji family of histone demethylases?in vitro, in cancer cells and in tumors?in vivo.?IC50?= 230, 340, 435, 445, 855 and 1100 nM for JARID1A, JMJD2E, JMJD2B, JMJD2A, JMJD3 and JMJD2C respectively.??Reduces tumor burden and prolongs life in a mouse model.1?Suppresses translation initiation and enhances mTOR inhibitor sensitivity.2?Inhibits the growth of temozolomide-resistant glioblastoma cells and crosses the blood brain barrier.3

Uses

JIB-04 has been used in sulforhodamine B cell growth assay. It has also been used as a control to determine the inhibitory action of ML324 on KDM4A (histone lysine demethylase 4A).

Uses

JIB-04 is a specific inhibitor of Jumonji demethylases.

Biochem/physiol Actions

JIB-04 is a selective inihibitor of Jumonji demethylases without inhibiting other α-ketoglutarate-dependent hydroxylases or histone-modifying enzymes including amine oxidase LSD1 (also known as KDM1A), which demethylates histone lysines. JIB-04 is a pan-inhibitor of Jumonji demethylases with JARID1A (KDM5A) being the most sensitive (IC50=230 nM) followed by JMJD2D (IC50=290 nM) and JMJD3 (KDM6B) and JMJD2C (KDM4C) more resistant (IC50 855 and 1100 nM, respectively). JIB-04 selectively inhibited viability of several human cancer cell lines with little toxicity towards normal cells, and also diminished tumor growth in two separate xenograft mouse models.

in vivo

JIB-04 results in a significant reduction in cancer-induced death rates in mice, prolonging survival^[1]. JIB-04 (60, 40 and 20 mg/kg, i.p.) reaches bioactive concentration in the brain of the mice. The orthotopic GB xenograft model shows a trend toward longer survival in JIB-04-treated mice with an Hazard Ratio of 0.5^[2].

IC 50

KDM4; KDM6; KDM5

storage

+4°C

References

1) Wang?et al.?(2013),?A small molecule modulates Jumonji histone demethylase activity and selectively inhibits cancer growth; Nature Commun., 4?2035

Spectrum Detail

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