| Chemical & Physical Properties | |
|---|---|
| CAS Number | 206873-63-4 |
| Catalog No. | 2A-9055385 |
| Chinese Name | Tariquidar |
| Synonyms | Tariquidar; Tariquidar (USAN/INN); XR9576 |
| Molecular Formula | C38H38N4O6 |
| Molecular Weight | 646.73 |
| Purity | ≥98 (HPLC) |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 716.0±60.0 °C at 760 mmHg |
| Appearance | powder |
| Storage Condition | -20℃ |
| Application | Tariquidar is a potent and specific P-glycoprotein (P-gp) inhibitor with a Kd of 5.1±0.9 nM. |
| HTC | 2933499090 |
| PubChem ID | 329826066 |
| MDL Number | MFCD09837824 |
| SMILES | O=C(C1=CC(OC)=C(OC)C=C1NC(C2=CC(C=CC=C3)=C3N=C2)=O)NC(C=C4)=CC=C4CCN5CC6=CC(OC)=C(OC)C=C6CC5 |
| InChI | 1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43) |
| InChI Key | LGGHDPFKSSRQNS-UHFFFAOYSA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| MSDS | msds/55385_1_206873_63_4.pdf |
| Use of | Properties Name N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide Synonym More Synonyms Tariquidar Biological Activity Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> P-glycoprotein Research Areas >> Cancer Kd: 5.1 nM (P-gp)[1] References [1]. Martin C, et al. The molecular interaction of the high affinity reversal agent XR9576 with P-glycoprotein. Br J Pharmacol, 1999, 128(2), 403-411. [3]. Zimmermann ES, et al. Simultaneous Semimechanistic Population Analyses of Levofloxacin in Plasma, Lung, and Prostate To Describe the Influence of Efflux Transporters on Drug Distribution following Intravenous and Intratracheal Administration. Antimicrob Agents Chemother. 2015 Nov 30;60(2):946-54. [4]. Kao YH, et al. Regulation of P-glycoprotein expression in brain capillaries in Huntington's disease and its impact on brain availability of antipsychotic agents risperidone and paliperidone. J Cereb Blood Flow Metab. 2016 Aug;36(8):1412-23. [5]. Matzneller P, et al. Pharmacokinetics of the P-gp Inhibitor Tariquidar in Rats After Intravenous, Oral, and Intraperitoneal Administration. Eur J Drug Metab Pharmacokinet. 2018 Apr 3. Chemical & Physical Properties Molecular Formula C38H38N4O6 Exact Mass 646.279114 PSA 111.25000 Index of Refraction 1.662 InChIKey LGGHDPFKSSRQNS-UHFFFAOYSA-N Storage condition -20℃ Safety Information HS Code 2933499090 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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