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200484-11-3

200484-11-3 Structure

200484-11-3 Structure
IdentificationBack Directory
[Name]

CHS-828
[CAS]

200484-11-3
[Synonyms]

HS-828
MX1778
GMX 1778
GMX1778, >98%
CHS828;CHS 828
GMX1778(CHS-828)
2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine
N-[6-(4-Chlorophenoxy)hexyl]-N'-cyano-N''-4-pyridinylguanidine
1-(6-(4-chlorophenoxy)hexyl)-2-cyano-3-(pyridin-4-yl)guanidine
Guanidine, N-[6-(4-chlorophenoxy)hexyl]-N'-cyano-N''-4-pyridinyl-
[Molecular Formula]

C19H22ClN5O
[MDL Number]

MFCD03700766
[MOL File]

200484-11-3.mol
[Molecular Weight]

371.86
Chemical PropertiesBack Directory
[Melting point ]

166-168°C
[Boiling point ]

532.1±58.0 °C(Predicted)
[density ]

1.18±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,Store in freezer, under -20°C
[solubility ]

DMSO: soluble20mg/mL, clear
[form ]

powder
[pka]

7.36±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 3 months.
[InChIKey]

BOIPLTNGIAPDBY-UHFFFAOYSA-N
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25-36/37/38
[Safety Statements ]

26-45
[WGK Germany ]

3
Hazard InformationBack Directory
[Description]

CHS-828 is a pyridyl cyanoguanidine anti-tumor agent that has been identified as a competitive inhibitor of Nampt as well as an inhibitor of NF-κB pathway activity. CHS-828 has potent cytotoxic effects in human breast (IC50 = 7.3 nM) and lung cancer (IC50 = 0.5 nM) cells both in vitro and in vivo. In nude mice bearing human tumor xenografts, CHS-828, at 20-50 mg/kg/day, inhibits the growth of MCF-7 breast cancer tumors and induces regression of NYH small cell lung cancer tumors.
[Uses]

GMX1778 is an anticancer agent that inhibits cellular synthesis of NAD.
[Definition]

ChEBI: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine is an aromatic ether.
[storage]

+4°C
[References]

1) Olesen?et al.?(2008),?Anticancer agent CHS-828 inhibits cellular synthesis of NAD; Biochem. Biophys. Res. Commun.?376?799 2) Hassan?et al. (2006),?CHS 828 kill tumor cells by inhibiting the nuclear factor-kappaB translocation but unlikely through down-regulation of proteasome; Anticancer Res.?26?4431 3) Hjarnaa?et al.?(1999),?CHS 828, a novel pyridyl cyanoguanidine with potent antitumor activity in vitro and in vivo; Cancer Res.?59?5751 4) Cerna?et al.?(2012)?Inhibition of nicotinamide phosphoribosyltransferase (NAMPT) activity by small molecule GMX1778 regulates reactive oxygen species (ROS)-mediated cytotoxicity in a p53- and nicotinic acid phosphoribosyltransferase1 (NAPRT1)-dependent manner; J. Biol. Chem.?287?22408
Spectrum DetailBack Directory
[Spectrum Detail]

CHS-828(200484-11-3)1HNMR
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