CAS Number1056901-62-2
SynonymsBenzenemethanol, α-(aminomethyl)-α-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)-, (αS)-, hydrochloride (1:2); AT 13148 dihydrochloride; (1S)-2-Amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]ethanol dihydrochloride; (S)-1-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-1-(4-chlorophenyl)ethanol; (S)-1-(4-(1H-pyrazol-4-yl)phenyl)-2-amino-1-(4-chlorophenyl)ethanol dihydrochloride; (+)-(S)-2-Amino-1-(4-chlorophenyl)-1-(4-(1H-pyrazol-4-yl)phenyl)ethanol; AT13148
Molecular FormulaC17H16ClN3O
Molecular Weight313.78
Purity98%%
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1056901-62-2 |
| Catalog No. | 2A-1170955 |
| Chinese Name | AT13148 |
| Synonyms | Benzenemethanol, α-(aminomethyl)-α-(4-chlorophenyl)-4-(1H-pyrazol-4-yl)-, (αS)-, hydrochloride (1:2); AT 13148 dihydrochloride; (1S)-2-Amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]ethanol dihydrochloride; (S)-1-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-1-(4-chlorophenyl)ethanol; (S)-1-(4-(1H-pyrazol-4-yl)phenyl)-2-amino-1-(4-chlorophenyl)ethanol dihydrochloride; (+)-(S)-2-Amino-1-(4-chlorophenyl)-1-(4-(1H-pyrazol-4-yl)phenyl)ethanol; AT13148 |
| Molecular Formula | C17H16ClN3O |
| Molecular Weight | 313.78 |
| Purity | 98% |
| Storage Condition | 2-8°C |
| Application | AT13148 is an orally available, ATP-competitive AGC kinase inhibitor that inhibits the activities of Akt1/Akt2/Akt3, p70S6K, PKA and ROCKI/ROCKII with IC50 values of 38 nM/402 nM/50 nM, 8 nM, 3 nM a |
| HTC | 2933199090 |
| SMILES | NCC(O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1 |
| InChI Key | IIRWNGPLJQXWFJ-KRWDZBQOSA-N |
| Use of | Properties Name (1S)-2-amino-1-(4-chlorophenyl)-1-[4-(1H-pyrazol-4-yl)phenyl]ethanol Synonym More Synonyms AT13148 Biological Activity Related Catalog Signaling Pathways >> Protein Tyrosine Kinase/RTK >> PKA Signaling Pathways >> Stem Cell/Wnt >> PKA Signaling Pathways >> MAPK/ERK Pathway >> Ribosomal S6 Kinase (RSK) Signaling Pathways >> Cell Cycle/DNA Damage >> ROCK Signaling Pathways >> Stem Cell/Wnt >> ROCK Signaling Pathways >> TGF-beta/Smad >> ROCK Research Areas >> Cancer Akt1:38 nM (IC50) Akt3:50 nM (IC50) Akt2:402 nM (IC50) PKA:3 nM (IC50) ROCKII:4 nM (IC50) ROCKI:6 nM (IC50) SGK3:63 nM (IC50) RSK1:85 nM (IC50) CHK2:860 nM (IC50) Aurora B:1840 nM (IC50) In Vitro AT13148 inhibits a panel of kinases at 10 μM, and the IC50 values for p70S6K, PKA, ROCKI, and ROCKII are all less than 10 nM and those for AKT1, 2, and 3 are 38, 402, and 50 nM, respectively. For the related AGC kinases RSK1 and SGK3, the IC50 values are 85 and 63 nM, respectively. In contrast, IC50 values for the non-AGC kinases CHK2 and Aurora B are both greater than 800 nM. AT13148 potently inhibits proliferation with GI50 values of 1.5 to 3.8 μM across a selected panel of cancer cell lines[1]. AT13148 treatment in gastric cancer cells dramatically suppresses activation of multiple AGC kinases, including Akt (at p-Thr-308), p70S6 kinase (p70S6K), glycogen synthase kinase 3β (GSK-3β) and p90 ribosomal S6 kinase (RSK)[2]. Kinase Assay AT13148 is assayed against 40 kinases and the percentage inhibition at 10 μM of AT13148 is determined. Individual IC50 values are measured for selected kinases using ATP concentrations equivalent to the Km for each enzyme. References [1]. Yap TA, et al. AT13148 is a novel, oral multi-AGC kinase inhibitor with potent pharmacodynamic and antitumor activity. Clin Cancer Res. 2012 Jul 15;18(14):3912-23. [2]. Xi Y, et al. AT13148, a first-in-class multi-AGC kinase inhibitor, potently inhibits gastric cancer cells both in vitro and in vivo. Biochem Biophys Res Commun. 2016 Sep 9;478(1):330-6. Chemical & Physical Properties PSA 74.93000 LogP 5.22900 InChIKey IIRWNGPLJQXWFJ-KRWDZBQOSA-N Safety Information HS Code 2933199090 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933199090. other compounds containing an unfused pyrazole 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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