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59474-01-0

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59474-01-0 Structure

59474-01-0 Structure
IdentificationBack Directory
[Name]

(10-METHYL-9-ANTHRACENYL) CARBAMIMIDOTHIOIC ACID METHYL ESTER HYDROCHLORIDE
[CAS]

59474-01-0
[Synonyms]

XI-011
NSC 146109
NSC 146109 HYDROCHLORIDE
NSC 146109 (HYDROCHLORIDE);XI-011
XI-011 (NSC 146109 hydrochloride)
S-(10-Methylanthracen-9-yl)methyl Isothiourea Hydrochloride
(10-Methylanthracen-9-yl)methyl Carbamimidothiote Hydrochloride
(10-Methylanthracen-9-yl)methyl carbamimidothioate hydrochloride
(10-METHYL-9-ANTHRACENYL) CARBAMIMIDOTHIOIC ACID METHYL ESTER HYDROCHLORIDE
(10-Methyl-9-anthracenyl) methyl carbamimidothioic acid ester hydrochloride
[Molecular Formula]

C17H17ClN2S
[MDL Number]

MFCD07783997
[MOL File]

59474-01-0.mol
[Molecular Weight]

316.85
Chemical PropertiesBack Directory
[storage temp. ]

Desiccate at RT
[solubility ]

Soluble to 10 mM in ethanol and to 100 mM in DMSO
[form ]

Powder
[color ]

White to yellow
[InChI]

1S/C17H16N2S.ClH/c1-11-12-6-2-4-8-14(12)16(10-20-17(18)19)15-9-5-3-7-13(11)15;/h2-9H,10H2,1H3,(H3,18,19);1H
[InChIKey]

VIBMUYOXJUCEMA-UHFFFAOYSA-N
[SMILES]

S(Cc1c2c(c(c3c1cccc3)C)cccc2)\C(=N/[H])\N.Cl
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
[Signal word ]

Warning
[Hazard statements ]

H302-H351
[Precautionary statements ]

P201-P202-P264-P270-P280-P301+P312-P330-P308+P313-P405-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

This molecule inhibits MDMX expression in breast cancer cells through activating p53 resulting in apoptosis in cancer cells.
[Biological Activity]

Cell-permeable, genotype-selective antitumor agent that activates p53-dependent transcription. Increases levels of endogenous p53 in tumor cells and protects p53 from Mdm2-mediated degradation. Displays some selectivity for tumor cells vs. normal cells in an MTT cell viability assay.
Spectrum DetailBack Directory
[Spectrum Detail]

(10-METHYL-9-ANTHRACENYL) CARBAMIMIDOTHIOIC ACID METHYL ESTER HYDROCHLORIDE(59474-01-0)1HNMR
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