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ARS-853

CAT: 0013-GTR19167631-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167631-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ARS-853 is a small molecule inhibitor targeting the oncogenic mutant K-RASG12C (IC50: 2.5 μM) . It covalently binds to the GDP-bound form, trapping it in an inactive state to inhibit proliferation in cancer cell lines. This tool compound is used in vitro to study RAS-driven tumor biology and signaling pathways.
CAS Number
1629268-00-3
Product Name Alternative
Apoptosis, ARS 853, ARS853, ARS-853, cancer, inhibit, KRAS, K-Ras (G12C), mutant, inactive, G12C, Inhibitor, state, Ras, selective, covalent
Field of Research
Cell Biology, Pharmacology & Drug Discovery, Signal Transduction
Purity
96.64% (May vary between batches)
Solubility
DMSO:5.5 mg/mL (12.7 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.31 mM)
Smiles
CC1 (CC1) c1cc (NCC (=O) N2CCN (CC2) C2CN (C2) C (=O) C=C) c (O) cc1Cl
Molecular Formula
C22H29ClN4O3
Molecular Weight
432.94
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(3-(4-((4-Chloro-2-hydroxy-5-(1-methylcyclopropyl)phenyl)glycyl)piperazin-1-yl)azetidin-1-yl)prop-2-en-1-one
CAS Number1629268-00-3
PubChem CID86279165
IUPAC Name1-[3-[4-[2-[4-chloro-2-hydroxy-5-(1-methylcyclopropyl)anilino]acetyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one
Molecular FormulaC22H29ClN4O3
Molecular Weight432.9
XLogP2.9
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity671
SMILES
CC1(CC1)C2=CC(=C(C=C2Cl)O)NCC(=O)N3CCN(CC3)C4CN(C4)C(=O)C=C
InChI
InChI=1S/C22H29ClN4O3/c1-3-20(29)27-13-15(14-27)25-6-8-26(9-7-25)21(30)12-24-18-10-16(22(2)4-5-22)17(23)11-19(18)28/h3,10-11,15,24,28H,1,4-9,12-14H2,2H3
InChIKey
IPFOCHMOYUMURK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3-(4-((4-Chloro-2-hydroxy-5-(1-methylcyclopropyl)phenyl)glycyl)piperazin-1-yl)azetidin-1-yl)prop-2-en-1-one
CAS: 1629268-00-3
CID: 86279165
Formula: C22H29ClN4O3
MW: 432.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.9
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass432.1928185
Monoisotopic Mass432.1928185
Topological Polar Surface Area76.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity671
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5758313ARS-853
A12542-100ARS-853 100mg
A12542-50ARS-853 50mg
A12542-10ARS-853 10mg
A12542-25ARS-853 25mg
A12542-500ARS-853 500mg
A12542-5ARS-853 5mg

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