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302939-48-6

302939-48-6 Structure

302939-48-6 Structure
IdentificationBack Directory
[Name]

2-bromo-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide
[CAS]

302939-48-6
[Synonyms]

KL201
2-bromo-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide
Benzamide, 2-bromo-N-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-
[Molecular Formula]

C17H14BrN3OS
[MDL Number]

MFCD01237866
[MOL File]

302939-48-6.mol
[Molecular Weight]

388.28
Chemical PropertiesBack Directory
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: 250 mg/mL (643.87 mM)
[form ]

Solid
[color ]

White to yellow
[InChI]

1S/C17H14BrN3OS/c18-12-7-3-1-5-10(12)16(22)21-15-14-11-6-2-4-8-13(11)23-17(14)20-9-19-15/h1,3,5,7,9H,2,4,6,8H2,(H,19,20,21,22)
[InChIKey]

KFSLRFWIPVMBNT-UHFFFAOYSA-N
[SMILES]

O=C(C1=CC=CC=C1Br)NC2=NC=NC3=C2C4=C(CCCC4)S3
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

KL201 a circadian clock modulator, is a isoform-selective cryptochrome 1 (CRY1) stabilizer. KL201 has no stabilizing effect on CRY2. KL201 lengthens the period of circadian rhythms in cells and tissues[1].
[Biological Activity]

KL201 is a circadian clock modulator th at lengthens a circadian period in cells and tissues. KL201 selectively regulate cryptochrome 1 (Cry1). It binds to FAD-binding pocket of CRY1 preventing interaction with FBXL3 and ubiquitin-dependent degradation.
[References]

[1] Simon Miller, et al. An Isoform-Selective Modulator of Cryptochrome 1 Regulates Circadian Rhythms in Mammals. Cell Chem Biol. 2020 Sep 17;27(9):1192-1198.e5. DOI:10.1016/j.chembiol.2020.05.008
Spectrum DetailBack Directory
[Spectrum Detail]

2-bromo-N-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)benzamide(302939-48-6)1HNMR
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