1-((R)-11-(((R)-1-(3-(Difluoromethyl)-2-fluorophenyl)ethyl)amino)-9-methyl-1,2,3,4,4a,5-hexahydropyrazino[1′,2′:4,5][1,4]oxazino[3,2-g]quinazoline-3-carbonyl)cyclopropane-1-carbonitrile , CAS No.R609145, SOS Ras/Rac guanine nucleotide exchange factor 1

Item Number
R609145
Grouped product items
SKUSizeAvailabilityPrice Qty
R609145-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$360.90
R609145-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,250.90

Basic Description

Specifications & PurityMoligand™
GradeMoligand™
Mechanism of actionSOS Ras/Rac guanine nucleotide exchange factor 1

Associated Targets(Human)

SOS1 Tchem Son of sevenless homolog 1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

IUPAC Name 1-((R)-11-(((R)-1-(3-(Difluoromethyl)-2-fluorophenyl)ethyl)amino)-9-methyl-1,2,3,4,4a,5-hexahydropyrazino[1′,2′:4,5][1,4]oxazino[3,2-g]quinazoline-3-carbonyl)cyclopropane-1-carbonitrile
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
InChi Key KKFFOOWORPUAJB-NVXWUHKLSA-N
Canonical SMILES Cc1nc2cc3OC[C@@H]4N(CCN(C(=O)C5(C#N)CC5)C4)c3cc2c(N[C@H](C)c2cccc(C(F)F)c2F)n1
Isomeric SMILES CC1=NC2=CC3=C(C=C2C(=N1)N[C@H](C)C4=C(C(=CC=C4)C(F)F)F)N5CCN(C[C@@H]5CO3)C(=O)C6(CC6)C#N
PubChem CID 165437863

Certificates

Certificate of Analysis(COA)

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Related Documents

References

1. Zhang S, Zhang Y, Chen X, Xu J, Fang H, Li Y, Liu Y, He H.  (2022)  Design and Structural Optimization of Orally Bioavailable SOS1 Inhibitors for the Treatment of KRAS-Driven Carcinoma..  J Med Chem,  71  (13): (1755-70).  [PMID:36384290] [10.1021/acs.jmedchem.2c01517]

Solution Calculators