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SOS1-IN-10

CAT: 0804-HY-144213Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-144213Size:1 Each
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Description
SOS1-IN-10 is a potent SOS1 inhibitor with an IC50 of 13 nM for KRAS G12C-SOS1 (WO2022017519A1, compound 8) [1].
CAS Number
2758690-15-0
UNSPSC
12352005
Target
Ras; SOS1
Type
Reference compound
Related Pathways
GPCR/G Protein; MAPK/ERK Pathway
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/sos1-in-10.html
Solubility
10 mM in DMSO
Smiles
C=C[C@H](C1=CC=CC(C(F)F)=C1F)NC2=NC(C)=NC3=CC(N(C=C32)C4(CC4)C(F)F)=O
Molecular Formula
C22H19F5N4O
Molecular Weight
450.40
References & Citations
[1]Quinazoline compound. WO2022017519A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
K-Ras

Chemical Information

Sos1-IN-10
CAS Number2758690-15-0
PubChem CID163196357
IUPAC Name6-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]prop-2-enyl]amino]-2-methylpyrido[4,3-d]pyrimidin-7-one
Molecular FormulaC22H19F5N4O
Molecular Weight450.4
XLogP3
Topological Polar Surface Area57.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity921
SMILES
CC1=NC2=CC(=O)N(C=C2C(=N1)N[C@H](C=C)C3=C(C(=CC=C3)C(F)F)F)C4(CC4)C(F)F
InChI
InChI=1S/C22H19F5N4O/c1-3-15(12-5-4-6-13(18(12)23)19(24)25)30-20-14-10-31(22(7-8-22)21(26)27)17(32)9-16(14)28-11(2)29-20/h3-6,9-10,15,19,21H,1,7-8H2,2H3,(H,28,29,30)/t15-/m1/s1
InChIKey
UHHGMWHAPJSTJQ-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Sos1-IN-10
CAS: 2758690-15-0
CID: 163196357
Formula: C22H19F5N4O
MW: 450.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass450.14790205
Monoisotopic Mass450.14790205
Topological Polar Surface Area57.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity921
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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