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SOS1-IN-21

CAT: 0804-HY-175326Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-175326Size:1 Each
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Description
SOS1-IN-21 is an orally active inhibitor of son of Sevenless 1 (SOS1) with an IC50 of 15 nM. SOS1 is a guanine nucleotide exchange factor (GEF) that activates KRAS by facilitating the exchange of GDP for GTP. SOS1-IN-21 exhibits potent antiproliferative activity, with IC50 values of 16 nM in NCI-H358 and 17 nM in Mia Paca-2 cell proliferation assays. SOS1-IN-21 exhibits significant antitumor activity in the Mia Paca-2 xenograft model. SOS1-IN-21 can be used for the study of KRAS mutant tumors, such as pancreatic cancer[1].
CAS Number
2767633-04-3
UNSPSC
12352005
Target
SOS1
Related Pathways
MAPK/ERK Pathway
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Smiles
CC(O)(C)C(F)(F)C1=CC=CC([C@H](NC2=C3C=C(OCCOC)C(OC)=CC3=NC(C)=N2)C)=C1F
Molecular Formula
C25H30F3N3O4
Molecular Weight
493.52
References & Citations
[1]Lv Y, et al. A Potent SOS1 PROTAC Degrader with Synergistic Efficacy in Combination with KRASG12C Inhibitor. J Med Chem. 2024 Feb 22;67 (4) :2487-2511.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1,1-difluoro-1-[2-fluoro-3-[(1R)-1-[[7-methoxy-6-(2-methoxyethoxy)-2-methylquinazolin-4-yl]amino]ethyl]phenyl]-2-methylpropan-2-ol
CAS Number2767633-04-3
PubChem CID164873116
IUPAC Name1,1-difluoro-1-[2-fluoro-3-[(1R)-1-[[7-methoxy-6-(2-methoxyethoxy)-2-methylquinazolin-4-yl]amino]ethyl]phenyl]-2-methylpropan-2-ol
Molecular FormulaC25H30F3N3O4
Molecular Weight493.5
XLogP4.4
Topological Polar Surface Area85.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity674
SMILES
CC1=NC2=CC(=C(C=C2C(=N1)N[C@H](C)C3=C(C(=CC=C3)C(C(C)(C)O)(F)F)F)OCCOC)OC
InChI
InChI=1S/C25H30F3N3O4/c1-14(16-8-7-9-18(22(16)26)25(27,28)24(3,4)32)29-23-17-12-21(35-11-10-33-5)20(34-6)13-19(17)30-15(2)31-23/h7-9,12-14,32H,10-11H2,1-6H3,(H,29,30,31)/t14-/m1/s1
InChIKey
IXISHTPGMZTYHX-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of 1,1-difluoro-1-[2-fluoro-3-[(1R)-1-[[7-methoxy-6-(2-methoxyethoxy)-2-methylquinazolin-4-yl]amino]ethyl]phenyl]-2-methylpropan-2-ol
CAS: 2767633-04-3
CID: 164873116
Formula: C25H30F3N3O4
MW: 493.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight493.5
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass493.21884093
Monoisotopic Mass493.21884093
Topological Polar Surface Area85.7 Ų
Heavy Atom Count35
Formal Charge0
Complexity674
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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