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SHR902275

CAT: 0804-HY-144269-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-144269-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SHR902275 is a potent, selective, and orally active RAF inhibitor targeting RAS mutant cancers. SHR902275 has IC50s of 1.6 nM, 10 nM, and 5.7 nM for cRAF, bRAFwt, and bRAFV600E, respectively. SHR902275 shows cell growth inhibition with GI50s of 1.5 and 0.17 nM, 0.4 nM and 0.32 nM for H358, A375, Calu6, and SK-MEL2 cells respectively[1].
CAS Number
2695506-82-0
UNSPSC
12352005
Target
Raf
Type
Reference compound
Related Pathways
MAPK/ERK Pathway
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/shr902275.html
Purity
99.80
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(C1=NN=CC(C(F)(F)F)=C1)NC2=CC=C(C)C(C3=CC4=C(NC(CC5(CCOCC5)O4)=O)C=C3)=C2
Molecular Formula
C26H23F3N4O4
Molecular Weight
512.48
References & Citations
[1]Zhao P, et al. Discovery of spiro amide SHR902275: A potent, selective, and efficacious RAF inhibitor targeting RAS mutant cancers. Eur J Med Chem. 2022;228:114040.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
B-Raf; C-Raf

Chemical Information

N-[4-methyl-3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-oxane]-8-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CAS Number2695506-82-0
PubChem CID162349526
IUPAC NameN-[4-methyl-3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-oxane]-8-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
Molecular FormulaC26H23F3N4O4
Molecular Weight512.5
XLogP3
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count37
Formal Charge0
Complexity837
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=NN=CC(=C2)C(F)(F)F)C3=CC4=C(C=C3)NC(=O)CC5(O4)CCOCC5
InChI
InChI=1S/C26H23F3N4O4/c1-15-2-4-18(31-24(35)21-11-17(14-30-33-21)26(27,28)29)12-19(15)16-3-5-20-22(10-16)37-25(13-23(34)32-20)6-8-36-9-7-25/h2-5,10-12,14H,6-9,13H2,1H3,(H,31,35)(H,32,34)
InChIKey
LRTINOCIDJSJPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-methyl-3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-oxane]-8-yl)phenyl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CAS: 2695506-82-0
CID: 162349526
Formula: C26H23F3N4O4
MW: 512.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.5
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass512.16713971
Monoisotopic Mass512.16713971
Topological Polar Surface Area102 Ų
Heavy Atom Count37
Formal Charge0
Complexity837
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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CatalogName
GTR19185104-01SHR902275

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