SOS1-IN-15

For research use only. Not for therapeutic Use.

  • CAT Number: I042463
  • CAS Number: 2793404-47-2
  • Molecular Formula: C28H27F3N6O2
  • Molecular Weight: 536.55
  • Purity: ≥95%
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SOS1-IN-15 (Compound 37) is an orally active SOS1 inhibitor with an IC50 of 5 nM. SOS1-IN-15 is a promising agent candidate for the research of KRAS-driven cancer[1].
SOS1-IN-15 (Compound 37) (0.1 nM-0.1 mM; 72 h) displays prominent inhibitory activities in Mia-paca-2 cancer cells (IC50 = 178 ± 42 nM)[1].
SOS1-IN-15 has a limited inhibition of CYP and hERG[1].
SOS1-IN-15 (Compound 37) (50 mg/kg; p.o.; daily for 22 days) inhibits tumor volume in mice[1].


Catalog Number I042463
CAS Number 2793404-47-2
Synonyms

1-[(7R)-16-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-14-methyl-9-oxa-2,5,13,15-tetrazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,13,15,17-pentaene-5-carbonyl]cyclopropane-1-carbonitrile

Molecular Formula C28H27F3N6O2
Purity ≥95%
InChI InChI=1S/C28H27F3N6O2/c1-15(18-4-3-5-19(24(18)29)25(30)31)33-26-20-10-22-23(11-21(20)34-16(2)35-26)39-13-17-12-36(8-9-37(17)22)27(38)28(14-32)6-7-28/h3-5,10-11,15,17,25H,6-9,12-13H2,1-2H3,(H,33,34,35)/t15-,17-/m1/s1
InChIKey KKFFOOWORPUAJB-NVXWUHKLSA-N
SMILES CC1=NC2=CC3=C(C=C2C(=N1)NC(C)C4=C(C(=CC=C4)C(F)F)F)N5CCN(CC5CO3)C(=O)C6(CC6)C#N
Reference

[1]. Zhang S, et al. Design and Structural Optimization of Orally Bioavailable SOS1 Inhibitors for the Treatment of KRAS-Driven Carcinoma. J Med Chem. 2022 Nov 17.
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