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ARS-1630

CAT: 0931-T10376-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T10376-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1698055-86-5
Target
Ras, Kras
Related Pathways
GPCR/G Protein, MAPK
Purity
0.9781
Bioactivity
ARS-1630 is a mutant K-ras G12C inhibitor. It is a less active enantiomer of ARS-1620.
Smiles
FC=1C2=C(C(=NC=N2)N3CCN(C(C=C)=O)CC3)C=C(Cl)C1C4=C(F)C=CC=C4O
Molecular Formula
C21H17ClF2N4O2
Molecular Weight
430.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ars-1620

ARS-1620 is a qinazoline derivative carrying chloro and fluoro substituents at positions 6 and 8 respectively, a 2-fluoro-6-hydroxyphenyl group at position 7, and a 4-(prop-2-enoyl)piperazin-1-yl group at position 4. A potent, selective, and orally bioavailable covalent KRAS-G12C inhibitor, it inhibits the protein coding gene KRAS (Kirsten rat sarcoma virus) with high potency in cells and animals. It has a role as an antiviral agent, an inhibitor and an antineoplastic agent.

CAS Number1698055-86-5
PubChem CID137003167
IUPAC Name1-[4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
Molecular FormulaC21H17ClF2N4O2
Molecular Weight430.8
XLogP4
Topological Polar Surface Area69.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity636
SMILES
C=CC(=O)N1CCN(CC1)C2=NC=NC3=C(C(=C(C=C32)Cl)C4=C(C=CC=C4F)O)F
InChI
InChI=1S/C21H17ClF2N4O2/c1-2-16(30)27-6-8-28(9-7-27)21-12-10-13(22)17(19(24)20(12)25-11-26-21)18-14(23)4-3-5-15(18)29/h2-5,10-11,29H,1,6-9H2
InChIKey
ZRPZPNYZFSJUPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ars-1620
CAS: 1698055-86-5
CID: 137003167
Formula: C21H17ClF2N4O2
MW: 430.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.8
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass430.1008098
Monoisotopic Mass430.1008098
Topological Polar Surface Area69.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity636
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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