SML2154

Deltarasin trihydrochloride

≥98% (HPLC)

• 동의어(들): (S)-1-Benzyl-2-(4-(2-(2-phenyl-1H-benzo[d]imidazol-1-yl)-2-(piperidin-4-yl)ethoxy)phenyl)-1H-benzo[d]imidazole trihydrochloride, 2-[4-[(2S)-2-(2-Phenyl-1H-benzimidazol-1-yl)-2-(4-piperidinyl)ethoxy]phenyl]-1-(phenylmethyl)-1H-benzimidazole trihydrochloride
• 실험식(Hill 표기법): C₄₀H₃₇N₅O · 3HCl
• CAS Number: 1440898-61-2
• Molecular Weight: 713.14
• UNSPSC 코드: 12352200
• NACRES: NA.77

속성

• 분석: ≥98% (HPLC)
• 양식: powder
• 저장 조건: desiccated
• 색상: white to beige
• solubility: H₂O: 2 mg/mL, clear
• 저장 온도: 2-8°C
• SMILES string: N1CCC(CC1)[C@H]([n]6c7c(nc6c8ccccc8)cccc7)COc2ccc(cc2)c3[n](c5c(n3)cccc5)Cc4ccccc4
• InChI: 1S/C40H37N5O/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/t38-/m1/s1
• InChI key: LTZKEDSUXKTTTC-KXQOOQHDSA-N

설명

생화학적/생리학적 작용

Deltarasin is a membrane-permeable benzimidazole derivative that effectively abolishes cellular KRas plasma membrane localization (5 μM for 1 hr) by blocking KRas-PDEδ interaction via high affinity interaction with PDEδ prenyl-binding pocket (K_D = 38 nM). Deltarasin inhibits oncogenic KRas-dependent proliferation (by ~50% of Panc-Tu-I cells; 5μM for 70 hrs) and survival (52% and 46% death induction of Panc-Tu-I and Capan-1 cells, respectively; 5μM for 24 hrs) in human pancreatic ductal adenocarcinoma (PDAC) cultures and is efficacious against Panc-Tu-I xenograft-derived tumor growth in mice in vivo (60% and 80% retardation on day 9, respectively, with 15 mg/kg q.d. or 10 mg/kg b.i.d. via i.p.).

KRas-PDEδ interaction blocker that targets PDEδ prenyl pocket with high affinity and inhibits oncogenic KRas-dependent cancer survival in vitro and in vivo.

안전성 정보

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3