| Chemical & Physical Properties | |
|---|---|
| CAS Number | 879085-55-9 |
| Catalog No. | 2A-9058733 |
| Chinese Name | 维莫地尼 |
| Synonyms | vismodegib; 2-Chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide; GDC-0449; GDC0449 |
| Molecular Formula | C19H14Cl2N2O3S |
| Molecular Weight | 421.30 |
| Purity | 98.00 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 561.6±50.0 °C at 760 mmHg |
| Storage Condition | room temperature, dry |
| Application | Vismodegib is an orally available hedgehog inhibitor with an IC50 value of 3 nM; it also inhibits the activities of P-gp and ABCG2 with an IC50 value of 3.0 μM and 1.4 μM, respectively. |
| HTC | 2933399090 |
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl |
| InChI | InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24) |
| InChI Key | BPQMGSKTAYIVFO-UHFFFAOYSA-N |
| UNSPSC | 41116107 |
| MSDS | msds/58733_1_879085_55_9.pdf |
| Use of | Vismodegib (GDC-0449) is an orally active hedgehog pathway inhibitor with an IC50 of 3 nM. It also inhibits P-gp, ABCG2 with IC50 values of 3.0 μM and 1.4 μM, respectively. Properties Name vismodegib Synonym More Synonyms vismodegib(GDC-0449) Biological Activity Description Vismodegib (GDC-0449) is an orally active hedgehog pathway inhibitor with an IC50 of 3 nM. It also inhibits P-gp, ABCG2 with IC50 values of 3.0 μM and 1.4 μM, respectively. Related Catalog Signaling Pathways >> Autophagy >> Autophagy Signaling Pathways >> Stem Cell/Wnt >> Hedgehog Research Areas >> Cancer IC50: 3 nM (hedgehog), 3.0 μM (P-gp), 1.4 μM (ABCG2) References [1]. Scales SJ, et al. Mechanisms of Hedgehog pathway activation in cancer and implications for therapy. Trends Pharmacol Sci. 2009, 30(6), 303-312. [3]. Tian F, et al. The hedgehog pathway inhibitor GDC-0449 alters intracellular Ca2+ homeostasis and inhibits cell growth in cisplatin-resistant lung cancer cells. Anticancer Res. 2012, 32(1), 89-94. [4]. Wong H, et al. Pharmacokinetic-pharmacodynamic analysis of vismodegib in preclinical models of mutational and ligand-dependent Hedgehog pathway activation. Clin Cancer Res. 2011, 17(14), 4682-4692. [5]. Elhenawy AA, et al. Possible antifibrotic effect of GDC-0449 (Vismodegib), a hedgehog-pathway inhibitor, in mice model of Schistosoma-induced liver fibrosis. Parasitol Int. 2017 Oct;66(5):545-554. [6]. Ma W, et al. Reduced Smoothened level rescued Aβ-induced memory deficits and neuronal inflammation in animal models of Alzheimer's disease. J Genet Genomics. 2018 May 20;45(5):237-246. Chemical & Physical Properties Exact Mass 420.010223 PSA 84.51000 Index of Refraction 1.641 InChIKey BPQMGSKTAYIVFO-UHFFFAOYSA-N Safety Information HS Code 2933399090 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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