ChemicalBook--->CAS DataBase List--->899713-86-1

899713-86-1

899713-86-1 Structure

899713-86-1 Structure
IdentificationBack Directory
[Name]

M348
[CAS]

899713-86-1
[Synonyms]

M348
ML348
CS-2370
GNF-Pf-1127
ML-348 (ML348)
ML 348;GNF-PF-1127
alpha-synuclein 1-95, human
N-[2-Chloro-5-(trifluoromethyl)phenyl]-4-(2-furanylcarbonyl)-1-piperazineacetamide
1-Piperazineacetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-furanylcarbonyl)-
[EINECS(EC#)]

809-791-4
[Molecular Formula]

C18H17ClF3N3O3
[MDL Number]

MFCD05123530
[MOL File]

899713-86-1.mol
[Molecular Weight]

415.79
Chemical PropertiesBack Directory
[Boiling point ]

546.2±50.0 °C(Predicted)
[density ]

1.422±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 25 mg/mL (60.13 mM; Need ultrasonic)
[form ]

Powder
[pka]

13.13±0.70(Predicted)
[color ]

White to off-white
[InChI]

1S/C18H17ClF3N3O3/c19-13-4-3-12(18(20,21)22)10-14(13)23-16(26)11-24-5-7-25(8-6-24)17(27)15-2-1-9-28-15/h1-4,9-10H,5-8,11H2,(H,23,26)
[InChIKey]

OXKNHBBDOIMFFQ-UHFFFAOYSA-N
[SMILES]

FC(F)(F)c1cc(c(cc1)Cl)NC(=O)CN2CCN(CC2)C(=O)c3[o]ccc3
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301
[Precautionary statements ]

P264-P270-P301+P310-P321-P330-P405-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

ML348 is a reversible LYPLA1 inhibitor. It is 14-fold selective for LYPLA1 over LYPLA2 and demonstrates little activity against a panel of more than 20 other serine hydrolases.
[Biochem/physiol Actions]

ML348 is a substrate-competitive, reversible and APT1-selective acyl-protein thioesterase (APT) inhibitor (IC50/Ki = 840 nM/300 nM against APT1; IC50 & Ki >10 μM against APT2). ML348 effectively inhibits cellular APT1 activity in cultures (by >95% in HEK293T & mouse T cells; 5 μM for 4 h) and in mice in vivo (by >90% in lung/heart/kidney and by ~50% in brain tissue 4 h post 50 mg/kg i.p. dosing) without affecting more than 15 cellular serine hydrolases and APT2.
[in vivo]

ML348 (50 mg/kg, i.p., 3 hours) shows potent and selective activity in vivo, inhibits LYPLA1 enzymes in heart, kidney and lung in mice[1].

Animal Model:C57BL6 male mice (3-4 months)[1]
Dosage:50 mg/kg
Administration:Intraperitoneal injection; 3 hours
Result:Potent and selective inhibited LYPLA1 enzymes in heart, kidney and lung in vivo.
[storage]

Store at +4°C
Spectrum DetailBack Directory
[Spectrum Detail]

M348(899713-86-1)1HNMR
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