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SOS1 activator 1

CAT: 0013-GTR19185462-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185462-02Size:50 mg
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Description
SOS1 activator 1 is a small molecule that potently activates the SOS1 guanine nucleotide exchange factor (Kd = 44 nM), promoting the exchange of GDP for GTP on RAS proteins. This tool compound is used in vitro and in vivo to investigate RAS signaling pathways in cancer research and cellular biology.
CAS Number
2245237-53-8
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Smiles
C (N1C (=NC=2C1=CC (Cl) =CC2N3CCN (C) CC3) N4CC5 (C4) CNC5) C6=CC (C) =C (F) C (C) =C6
Molecular Formula
C26H32ClFN6
Molecular Weight
483.02
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SOS1 activator 1
CAS Number2245237-53-8
PubChem CID134814234
IUPAC Name6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)benzimidazole
Molecular FormulaC26H32ClFN6
Molecular Weight483.0
XLogP4.1
Topological Polar Surface Area39.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity710
SMILES
CC1=CC(=CC(=C1F)C)CN2C3=C(C(=CC(=C3)Cl)N4CCN(CC4)C)N=C2N5CC6(C5)CNC6
InChI
InChI=1S/C26H32ClFN6/c1-17-8-19(9-18(2)23(17)28)12-34-22-11-20(27)10-21(32-6-4-31(3)5-7-32)24(22)30-25(34)33-15-26(16-33)13-29-14-26/h8-11,29H,4-7,12-16H2,1-3H3
InChIKey
JWZAQUXBYYOGFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SOS1 activator 1
CAS: 2245237-53-8
CID: 134814234
Formula: C26H32ClFN6
MW: 483.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight483.0
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass482.2361009
Monoisotopic Mass482.2361009
Topological Polar Surface Area39.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity710
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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