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RMC-0331

CAT: 1410-M35014-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M35014-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RMC-0331 (RM-023) is an orally available and potent SOS1 inhibitor with potential anticancer activity, blocking RAS activation by disrupting RAS-SOS1 interactions.
CAS Number
2488788-52-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
499.91
Molecular Formula
C22H25ClF3N5O3
Notes
Research use only, not for human use.
Receptor
Raf

Chemical Information

CID 155687064
CAS Number2488788-52-7
PubChem CID155687064
IUPAC Name[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-2-chloro-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-(4-methoxyoxan-4-yl)methanone
Molecular FormulaC22H25ClF3N5O3
Molecular Weight499.9
XLogP2.6
Topological Polar Surface Area103
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity726
SMILES
C[C@H](C1=CC(=CC(=C1)N)C(F)(F)F)NC2=NC(=NC3=C2CN(C3)C(=O)C4(CCOCC4)OC)Cl
InChI
InChI=1S/C22H25ClF3N5O3/c1-12(13-7-14(22(24,25)26)9-15(27)8-13)28-18-16-10-31(11-17(16)29-20(23)30-18)19(32)21(33-2)3-5-34-6-4-21/h7-9,12H,3-6,10-11,27H2,1-2H3,(H,28,29,30)/t12-/m1/s1
InChIKey
HOBOGRTXXDLZIB-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of CID 155687064
CAS: 2488788-52-7
CID: 155687064
Formula: C22H25ClF3N5O3
MW: 499.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight499.9
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass499.1598019
Monoisotopic Mass499.1598019
Topological Polar Surface Area103 Ų
Heavy Atom Count34
Formal Charge0
Complexity726
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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