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Deltarasin trihydrochloride
- Parent CAS: 1440898-61-2
- Optical Purity: Optically pure
- Soluble in water and DMSO
- MF: C40H37N5O.3HCl
- MW: 713.14
Description
More Information
| Parent CAS No. | 1440898-61-2 |
|---|---|
| Chemical Name | (S)-1-benzyl-2-(4-(2-(2-phenyl-1H-benzo[d]imidazol-1-yl)-2-(piperidin-4-yl)ethylphenyl-1H-benzo[d]imidazol-1-yl)-2-(piperidin-4-yl)ethoxy)phenyl)-1H-benzo[d]imidazole trihydrochloride |
| SMILES | C1C=C2N=C(C3C=CC(OC[C@H](C4CCNCC4)N4C5C=CC=CC=5N=C4C4C=CC=CC=4)=CC=3)N(CC3C=CC=CC=3)C2=CC=1.Cl.Cl.Cl |&1:11,r| |
| MFCD | N.A. |
| InChi | InChI=1S/C40H37N5O.3ClH/c1-3-11-29(12-4-1)27-44-36-17-9-7-15-34(36)42-39(44)32-19-21-33(22-20-32)46-28-38(30-23-25-41-26-24-30)45-37-18-10-8-16-35(37)43-40(45)31-13-5-2-6-14-31;;;/h1-22,30,38,41H,23-28H2;3*1H/t38-;;;/m1.../s1 |
| InChiKey | NCIOVAYUMQEQEU-VKZSUDIWSA-N |
| CID | 91826089 |
| Short Description | KRAS-PDEδ inhibitor |
References
- G. Zimmermann et al.Small molecule inhibition of the KRAS–PDEδ interaction impairs oncogenic KRAS signalling. Nature 2013, 497, 638-642.
- B. Frett et al. Targeting the K-Ras/PDEδ Protein–Protein Interaction: The Solution for Ras-Driven Cancers or Just Another Therapeutic Mirage? ChemMedChem 2013, 8, 1620-1622.
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