Chs-828

HCID 178512290
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Grundinformationen

CAS
200484-11-3
Standard-SMILES
N#CNC(=Nc1ccncc1)NCCCCCCOc1ccc(Cl)cc1
InChIKey
BOIPLTNGIAPDBY-UHFFFAOYSA-N
Summenformel
C19H22ClN5O
Durchschnittliche Molmasse
371,9 g/mol
Monoisotopische Masse
371,151288

Namen und Bezeichner

Bevorzugter Name
Chs-828
IUPAC
2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine
Englischer Name
CHS-828
Summenformel
C19H22ClN5O
Molmasse
371.86

Namen und Synonyme

200484-11-3CHS-828CHS 828GMX-1778CHS8288LAP87DNSZRefChem:577082Pyridyl Cyanoguanidine CHS 828N-(6-(4-Chlorophenoxy)hexyl)-N'-Cyano-N''-4-Pyridylcyanoguanidine(Z)-N'-(6-(4-chlorophenoxy)hexyl)-N-cyano-N''-(pyridin-4-yl)guanidineGMX17782-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine
Weitere Namen anzeigen
MX1778HS-828GMX1778, >98%MX1778? CHS-828GMX1778(CHS-828)CHS-828 (GMX1778)CHS-828, 10 mM in DMSO
1-[6-(4-Chlorophenoxy)hexyl]-3-cyano-2-pyridin-4-ylguanidineGuanidine, N-[6-(4-chlorophenoxy)hexyl]-N'-cyano-N''-4-pyridinyl-GMX 1778MFCD03700766CHEMBL172891-(6-(4-chlorophenoxy)hexyl)-2-cyano-3-(pyridin-4-yl)guanidineUNII-8LAP87DNSZC19H22ClN5O

Datenbank-Bezeichner

CAS
200484-11-3
PubChem CID
148198

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,3
Polarare Oberfläche (TPSA)
82,3 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
4
Frei drehbare Bindungen
11
Schwere Atome
26

Physikochemische Eigenschaften

Schmelzpunkt
166 · 166-168°C
Siedepunkt
532.1 · 532.1±58.0 °C(Predicted)
Dichte
1.18 · 1.18±0.1 g/cm3(Predicted)
storage temp.
-20 °C · Inert atmosphere,Store in freezer, under -20°C
Löslichkeit
20 mg/mL, · DMSO: soluble20mg/mL, clear
Aggregatzustand
powder

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 67 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk
3
risk_code
25-36/37/38
hazard_code
T
safety_code
26-45
Speicherklasse
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications
Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen · 2 Einträge

BeschreibungCHS-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.

VerwendenGMX1778 is an anticancer agent that inhibits cellular synthesis of NAD.

Anbieter84 Anbieter

南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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