ARS-1630( ARS1630 | ARS1620 R-atropisomer )

Catalog No. M12592 CAS No. 1698055-86-5

COA

Datasheet

HNMR

HPLC

MSDS

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Product Name

ARS-1630
Note

Research use only, not for human use.
Brief Description

ARS-1630 is the R-conformational atropisomer of ARS-1620.
Description

ARS-1630 is the R-conformational atropisomer of ARS-1620, 1,000-fold less potent than ARS-1620 (1.2 ± 0.6 M-1s-1) and thus acts as a unique inactive control compound.
In Vitro

KRASG12C is recently identified to be potentially druggable by allele-specific covalent targeting of Cys-12 in vicinity to an inducible allosteric switch II pocket (S-IIP). Success of this approach requires active cycling of KRASG12C between its active-GTP and inactive-GDP conformations as accessibility of the S-IIP is restricted only to the GDP-bound state. This strategy proves feasible for inhibiting mutant KRAS in vitro.
In Vivo

——
Synonyms

ARS1630 | ARS1620 R-atropisomer
Pathway

MAPK/ERK Signaling
Target

Ras
Recptor

Ras
Research Area

Cancer
Indication

——

CAS Number

1698055-86-5
Formula Weight

430.84
Molecular Formula

C21H17ClF2N4O2
Purity

>98% (HPLC)
Solubility

DMSO : ≥ 69 mg/mL 160.15 mM
SMILES

C=CC(N1CCN(C2=C3C=C(Cl)[C@@]([C@@]4=C(O)C=CC=C4F)=C(F)C3=NC=N2)CC1)=O.[R]
Chemical Name

(R)-1-(4-(6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl)piperazin-1-yl)prop-2-en-1-one

1. Janes MR, et al. Cell. 2018 Jan 25;172(3):578-589.e17.

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