ChemicalBook--->CAS DataBase List--->489408-02-8

489408-02-8

489408-02-8 Structure

489408-02-8 Structure
IdentificationBack Directory
[Name]

YDL223C
[CAS]

489408-02-8
[Synonyms]

YDL223C
1H-Pyrazole-1-acetamide, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-5-methyl-3-(trifluoromethyl)-
[EINECS(EC#)]

206-141-6
[Molecular Formula]

C16H17F3N4O2S
[MDL Number]

MFCD02053612
[MOL File]

489408-02-8.mol
[Molecular Weight]

386.39
Chemical PropertiesBack Directory
[Boiling point ]

531.9±50.0 °C(Predicted)
[density ]

1.58±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: 2mg/mL, clear
[form ]

Solid
[pka]

11.28±0.20(Predicted)
[color ]

White to off-white
[InChI]

1S/C16H17F3N4O2S/c1-8-6-11(16(17,18)19)22-23(8)7-12(24)21-15-13(14(20)25)9-4-2-3-5-10(9)26-15/h6H,2-5,7H2,1H3,(H2,20,25)(H,21,24)
[InChIKey]

PHLXSNIEQIKENK-UHFFFAOYSA-N
[SMILES]

O=C(N)C1=C(NC(CN2C(C)=CC(C(F)(F)F)=N2)=O)SC3=C1CCCC3
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

Shmoo tip protein, substrate of Hub1p ubiquitin-like protein; mutants are defective for mating projection formation, thereby implicating Hbt1p in polarized cell morphogenesis; HBT1 has a paralog, YNL195C, that arose from the whole genome duplication.
[Uses]

HBT1 is a potent α-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic acid (AMPA) receptor (AMPA-R) potentiator. HBT1 bonds with S518 in the ligand-binding domain (LBD) of AMPA-R in a glutamate-dependent manner. HBT1 did not show remarkable bell-shaped response in brain-derived neurotrophic factor (BDNF) production in primary neurons[1].
[Biochem/physiol Actions]

HBT1(YDL223C) is an AMPA-R [alpha-amino-3-hydroxy-5-methyl-4-isoxazole-propionic acid (AMPA) receptor] potentiator that induces production of brain-derived neurotrophic factor (BDNF) and exhibits little agonistic effect in primary neurons. HBT1 binds to ligand-binding domain of AMPA-R in glutamate dependent manner.
[References]

[1] Akiyoshi Kunugi, et al. HBT1, a Novel AMPA Receptor Potentiator with Lower Agonistic Effect, Avoided Bell-Shaped Response in In Vitro BDNF Production. J Pharmacol Exp Ther. 2018 Mar;364(3):377-389. DOI:10.1124/jpet.117.245050
Spectrum DetailBack Directory
[Spectrum Detail]

YDL223C(489408-02-8)1HNMR
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