(3aR,6aR)-N-(4-((3-ethynylphenyl)amino)-7-methoxyquinazolin-6-yl)-1-methylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxamide manufacturers
- Theliatinib
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- $48.00
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2026-05-11
- CAS:1353644-70-8
- Purity: 99.67%
- Supply Ability: 10g
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| | (3aR,6aR)-N-(4-((3-ethynylphenyl)amino)-7-methoxyquinazolin-6-yl)-1-methylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxamide Basic information |
| | (3aR,6aR)-N-(4-((3-ethynylphenyl)amino)-7-methoxyquinazolin-6-yl)-1-methylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxamide Chemical Properties |
| Boiling point | 675.6±55.0 °C(Predicted) | | density | 1.35±0.1 g/cm3(Predicted) | | storage temp. | Store at -20°C | | solubility | DMSO: 5 mg/mL (11.30 mM) | | pka | 13.59±0.20(Predicted) | | form | Solid | | color | White to off-white | | InChIKey | FSXCKIBROURMFT-VGSWGCGISA-N | | SMILES | N1(C)CC[C@]2([H])CN(C(NC3C(OC)=CC4C(C=3)=C(NC3=CC=CC(C#C)=C3)N=CN=4)=O)C[C@]12[H] |
| | (3aR,6aR)-N-(4-((3-ethynylphenyl)amino)-7-methoxyquinazolin-6-yl)-1-methylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxamide Usage And Synthesis |
| Uses | Theliatinib (Xiliertinib) is a potent, ATP-competitive, orally active and highly selective EGFR inhibitor with a Ki of 0.05 nM and an IC50 of 3 nM. Theliatinib has an IC50 of 22 nM for EGFR T790M/L858R mutant. Theliatinib shows >50-fold selectivity for EGFR than other kinases[1]. Theliatinib is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups. | | Biological Activity | Theliatinib (HMPL-309) is a potent EGFR inhibitor with a Ki value of 0.05 nM for EGFR and IC50 values of 3 nM and 22 nM for EGFR and EGFR T790M/L858R mutant, respectively. It is more than 50-fold selective for EGFR over 72 other kinases. | | in vitro | Compared with erlotinib or gefitnib, theliatinib has stronger binding affinity to wild-type EGFR and is more difficult to be replaced by ATP, which makes theliatinib have better target binding effect, and the EGFR-activated tumors have stronger antitumor activity. | | in vivo | Theliatinib has concentration-dependent antitumor activity in a series of patient-derived esophageal cancer xenograft models. But aberrant activation or genetic mutation of other targets such as PI3K and FGFR attenuates the antitumor activity of EGFR inhibitors, especially theliatinib. | | target | | Target | Value | WT EGFR
(Cell-free assay) | < td style="border-bottom: 1px dotted #ccc;padding: 5px;"> 3 nM EGFR T790M/L858R
(Cell-free assay) | 22 nM |
| | IC 50 | EGFR: 3 nM (IC50); EGFR: 0.05 nM (Ki); EGFR (L858R/T790M): 22 nM (IC50) | | References | [1] Ren Y, et al. Anti-tumor efficacy of theliatinib in esophageal cancer patient-derived xenografts models with epidermal growth factor receptor (EGFR) overexpression and gene amplification. Oncotarget. 2017 Apr 19;8(31):50832-50844. DOI:10.18632/oncotarget.17243 |
| | (3aR,6aR)-N-(4-((3-ethynylphenyl)amino)-7-methoxyquinazolin-6-yl)-1-methylhexahydropyrrolo[3,4-b]pyrrole-5(1H)-carboxamide Preparation Products And Raw materials |
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