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RAS inhibitor Abd-7

CAT: 0931-T36641-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T36641-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2351843-48-4
Target
Kras, Others, Ras
Related Pathways
GPCR/G Protein, MAPK, Others
Bioactivity
RAS inhibitor Abd-7 is a powerful compound (Kd=51 nM) that binds to RAS and inhibits the protein-protein interaction (PPI) between RAS and its effectors. By interacting with RAS within cells, RAS inhibitor Abd-7 hinders RAS-effector interactions and suppresses endogenous RAS-dependent signaling. Additionally, RAS inhibitor Abd-7 disrupts the PPI of different mutant KRAS proteins with PI3K, CRAF, RALGDS, as well as NRAS Q61H and HRAS G12V[1].
Smiles
COc1nc(ccc1Nc1ccc(CN(C)C)cc1)-c1cccc2OCCOc12
Molecular Formula
C23H25N3O3
Molecular Weight
391.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

RAS inhibitor Abd-7
CAS Number2351843-48-4
PubChem CID134812710
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[4-[(dimethylamino)methyl]phenyl]-2-methoxypyridin-3-amine
Molecular FormulaC23H25N3O3
Molecular Weight391.5
XLogP3.9
Topological Polar Surface Area55.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity498
SMILES
CN(C)CC1=CC=C(C=C1)NC2=C(N=C(C=C2)C3=C4C(=CC=C3)OCCO4)OC
InChI
InChI=1S/C23H25N3O3/c1-26(2)15-16-7-9-17(10-8-16)24-20-12-11-19(25-23(20)27-3)18-5-4-6-21-22(18)29-14-13-28-21/h4-12,24H,13-15H2,1-3H3
InChIKey
MJHHFDJNRRCUOB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RAS inhibitor Abd-7
CAS: 2351843-48-4
CID: 134812710
Formula: C23H25N3O3
MW: 391.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.5
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass391.18959167
Monoisotopic Mass391.18959167
Topological Polar Surface Area55.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity498
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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