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896657-58-2

896657-58-2 Structure

896657-58-2 Structure
IdentificationBack Directory
[Name]

N-[4-(adamantan-1-yl)phenyl]-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
[CAS]

896657-58-2
[Synonyms]

2-((1H-1,2,4-Triazol-5-yl)thio)-N-(4-(adamantan-1-yl)phenyl)acetamide
N-[4-(adamantan-1-yl)phenyl]-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
N-?[4-?(1-?Adamantyl)?phenyl]?-?2-?(4H-?1,?2,?4-?triazol-?3-?ylsulfanyl)?acetamide
[EINECS(EC#)]

816-922-9
[Molecular Formula]

C20H24N4OS
[MDL Number]

MFCD07361635
[MOL File]

896657-58-2.mol
[Molecular Weight]

368.496
Chemical PropertiesBack Directory
[storage temp. ]

4°C, away from moisture and light
[form ]

Solid
[color ]

White to off-white
[InChI]

InChI=1S/C20H24N4OS/c25-18(11-26-19-21-12-22-24-19)23-17-3-1-16(2-4-17)20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,12-15H,5-11H2,(H,23,25)(H,21,22,24)
[InChIKey]

UUKXOVBCMOZQNC-UHFFFAOYSA-N
[SMILES]

C(NC1=CC=C(C23CC4CC(CC(C4)C2)C3)C=C1)(=O)CSC1NC=NN=1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H315-H319-H302
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Hazard InformationBack Directory
[Uses]

N-?[4-?(1-?Adamantyl)?phenyl]?-?2-?(4H-?1,?2,?4-?triazol-?3-?ylsulfanyl)?acetamide acts as a TEAD transcription factor autopalmitoylation inhibitor which may be a therapeutical treatment for certain cancers.
[in vivo]

MGH-CP1 (75mg/kg; PO; daily, for 2 weeks) inhibits the palmitoylation of TEAD proteins in the intestinal epithelium in wild-type mice, but inhibits upregulation of the TEAD target genes, CTGF and ANKRD1, in Lats1/2 KO mice intestine[1].

Animal Model:Mice (induced high-dose Cre recombination by intraperitoneal injection of 120mg/kg Tamoxifen for two consecutive days)[1]
Dosage:75 mg/kg
Administration:PO; daily, for 2 weeks
Result:Effectively inhibited the palmitoylation of TEAD proteins in the intestinal epithelium in wild-type mice, but effectively inhibited upregulation of the TEAD target genes, CTGF and ANKRD1, in Lats1/2 KO mice intestine.
Spectrum DetailBack Directory
[Spectrum Detail]

N-[4-(adamantan-1-yl)phenyl]-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide(896657-58-2)1HNMR
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