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SOS1 agonist-1

CAT: 0931-T84791-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T84791-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2245237-61-8
Target
Others, Ras
Related Pathways
MAPK, Others
Bioactivity
SOS1 agonist-1 (compound 79) serves as an agonist for the Son of sevenless homologue 1 (SOS1), a crucial guanine nucleotide exchange factor involved in catalyzing the GDP to GTP exchange on RAS proteins, thus regulating RAS activation. By increasing nucleotide exchange on RAS, SOS1 agonists enhance cellular RAS-GTP levels and induce biphasic signaling alterations in ERK1/2 phosphorylation, playing a pivotal role in anti-cancer activity [1].
Smiles
C(OC(C)(C)C)(=O)N1CC2(CN(C2)C=3N(CC4=CC(C)=C(F)C(C)=C4)C=5C(N3)=C(Br)C=C(Cl)C5)C1
Molecular Formula
C26H29BrClFN4O2
Molecular Weight
563.89
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SOS1 agonist-1
CAS Number2245237-61-8
PubChem CID169448771
IUPAC Nametert-butyl 6-[4-bromo-6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]benzimidazol-2-yl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
Molecular FormulaC26H29BrClFN4O2
Molecular Weight563.9
XLogP6.2
Topological Polar Surface Area50.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity789
SMILES
CC1=CC(=CC(=C1F)C)CN2C3=C(C(=CC(=C3)Cl)Br)N=C2N4CC5(C4)CN(C5)C(=O)OC(C)(C)C
InChI
InChI=1S/C26H29BrClFN4O2/c1-15-6-17(7-16(2)21(15)29)10-33-20-9-18(28)8-19(27)22(20)30-23(33)31-11-26(12-31)13-32(14-26)24(34)35-25(3,4)5/h6-9H,10-14H2,1-5H3
InChIKey
VXKBOSGNBGMADK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SOS1 agonist-1
CAS: 2245237-61-8
CID: 169448771
Formula: C26H29BrClFN4O2
MW: 563.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight563.9
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass562.11464
Monoisotopic Mass562.11464
Topological Polar Surface Area50.6 Ų
Heavy Atom Count35
Formal Charge0
Complexity789
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
GTR19233401-01SOS1 agonist-1
MBS387653-01SOS1-IN-1
HY-158310-01SOS1/EGFR-IN-1
MBS5820824SOS1/KRAS-IN-1
GTR19185462-01SOS1 activator 1
HY-153606-01SOS1 Ligand intermediate-1
HY-145737-01PROTAC SOS1 degrader-1
HY-168638PROTAC SOS1 ligand 1
FY12583SOS1 Antibody / Son of sevenless 1
A13160-25NSC-70220 (SOS1-IN-1) 25mg

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