ChemicalBook--->CAS DataBase List--->1313883-00-9

1313883-00-9

1313883-00-9 Structure

1313883-00-9 Structure
IdentificationBack Directory
[Name]

ARQ 092
[CAS]

1313883-00-9
[Synonyms]

ARQ092 HCl
Miransertib HCl
ARQ092 Hydrochloride
Miransertib (ARQ 092) HCl
[Molecular Formula]

C27H25ClN6
[MDL Number]

MFCD31536778
[MOL File]

1313883-00-9.mol
[Molecular Weight]

468.99
Chemical PropertiesBack Directory
[storage temp. ]

Store at -20°C
[solubility ]

DMSO: 75 mg/mL (159.92 mM);Ethanol: 4 mg/mL (8.53 mM)
[form ]

Solid
[color ]

Light yellow to brown
[Water Solubility ]

Water: Insoluble
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Uses]

Miransertib hydrochloride (ARQ-092 hydrochloride) is a potent, orally active, selective and allosteric Akt inhibitor with IC50s of 2.7 nM, 14 nM and 8.1 nM for Akt1, Akt2, Akt3, respectively. Miransertib hydrochloride is also a potent the AKT1-E17K mutant protein inhibitor and has the potential for PI3K/AKT-driven tumors and Proteus syndrome research[1]. Miransertib hydrochloride is effective against Leishmania[2].
[Synthesis]

tert-butyl (1-(4-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)phenyl)cyclobutyl)carbamate

1313881-69-4

ARQ 092

1313883-00-9

Step 4: Tert-butyl (1 -(4-(2-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)phenyl)cyclobutyl)carbamate (4.1 g) was dissolved in dichloromethane (100 mL), and a dioxane solution (20 mL) of 4.0 M HCl was slowly added. The reaction mixture was stirred at room temperature for 2.5 hours. After completion of the reaction, ether (50 mL) was added to the suspension and the solid was collected by filtration to afford 3-(3-(4-(1-aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine hydrochloride (4.032 g, white solid). The product was characterized by 1H NMR (DMSO-d6, 400 MHz) and LCMS: 1H NMR δ 8.94 (s, 3H), 8.47 (bs, 1H), 8.38 (d, J = 8.8 Hz, 1H), 8.19-8.15 (m, 1H), 8.10-8.03 (m, 3H), 7.93-7.88 (m, 1H), 7.76 (d, J = 8.4 Hz, 1H), 7.69 (d, J = 8.4 Hz, 2H), 7.52-7.40 (m, 3H), 6.92 (t, J = 7.6 Hz, 1H), 2.70-2.57 (m, 4H), 2.29-2.20 (m, 1H), 1.90-1.80 (m, 1H); LCMS: m/z 433 [M + H]+. Calculated elemental analysis (C29H27ON7-3.06HCl-0.01C4H8O2-0.03C4H10O): C 59.61, H 5.28, N 15.36; measured values: C 59.62, H 5.05, N 15.36.

[in vivo]

Miransertib (ARQ-092; Compound 21a) shows good absolute oral bioavailability in rats (5 mg/kg) and monkeys (10 mg/kg) with F values of 62% and 49%, respectively. The half-life is longer in rats compared to monkeys with t1/2 values of 17 h in rats versus 7 h in monkeys. The Cmax is 198 ng/mL and 258 ng/mL and the AUCinf was 5496 h?ng/mL and 2960 h?ng/mL in rats and monkeys, respectively[1].
Miransertib (ARQ-092; Compound 21a) inhibits tumor growth in a human xenograft mouse model of endometrial adenocarcinoma[1].

[IC 50]

Akt1: 2.7 nM (IC50); Leishmania; Akt3: 8.1 nM (IC50); Akt2: 174 nM (IC50); Akt1 E17K mutant
[References]

[1] Lapierre JM, et al. Discovery of 3-(3-(4-(1-Aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (ARQ 092): An Orally Bioavailable, Selective, and Potent Allosteric AKT Inhibitor. J Med Chem. 2016 Jul 14;59(13):6455-69. DOI:10.1021/acs.jmedchem.6b00619
[2] Devki Nandan, et al. Miransertib (ARQ 092), an orally-available, selective Akt inhibitor is effective against Leishmania. PLoS One. 2018 Nov 6;13(11):e0206920. DOI:10.1371/journal.pone.0206920
Spectrum DetailBack Directory
[Spectrum Detail]

ARQ 092(1313883-00-9)1HNMR
1313883-00-9 suppliers list
Company Name: ATK CHEMICAL COMPANY LIMITED
Tel: +undefined-21-51877795
Website: www.atkchemical.com
Company Name: Jinan Carbotang Biotech Co.,Ltd.
Tel: +8615866703830 , +8615866703830
Website: https://www.chemicalbook.com/ShowSupplierProductsList31189/0.htm
Company Name: InvivoChem
Tel: +1-708-310-1919 +1-13798911105 , +1-13798911105
Website: https://www.invivochem.com/
Company Name: Nantong HI-FUTURE Biology Co., Ltd.
Tel: +undefined18051384581 , +undefined18051384581
Website: https://www.chemhifuture.com/
Company Name: TargetMol Chemicals Inc.
Tel: +1-781-999-5354;
Website: https://www.targetmol.com/
Company Name: Wuhan Topule Biopharmaceutical Co., Ltd
Tel: +8618327326525 , +8618327326525
Website: topule.com/
Company Name: Aladdin Scientific
Tel:
Website: www.aladdinsci.com/
Company Name: Hangzhou J&H Chemical Co., Ltd.  
Tel: 0571-87396432
Website: www.jhechem.com
Company Name: Shanghai YuanYe Biotechnology Co., Ltd.  
Tel: 021-61312847; 18021002903
Website: http://www.shyuanye.com
Company Name: ShangHai Biochempartner Co.,Ltd  
Tel: 177-54423994 17754423994
Website: www.biochempartner.com
Company Name: Shanghai Rechem science Co., Ltd.  
Tel: 021-31433387 15618786686
Website: cn.rechemscience.com
Company Name: Shanghai Chaolan Chemical Technology Center  
Tel: 021-QQ:65489617 15618227136
Website: www.atkchemical.com/
Company Name: Shanghai SuperLan Chemcial Technique Centre  
Tel: 0-2022843681 15618226720
Website: www.chemicalbook.com/showsupplierproductslist19886/0_en.htm
Company Name: Beijing Jin Ming Biotechnology Co., Ltd.  
Tel: 010-60605840 18892239720
Website: http://www.jm-bio.com/
Company Name: Heze Development Zone chuangli Chemical Co., Ltd.  
Tel: 0530-+86-530-529 6766,+86-15666160102 15666160102
Website: www.chemicalbook.com/supplier/10660012/
Company Name: Guangzhou Tomums Life Science Co., Ltd.  
Tel: 020-31155029 18902330969
Website: http://www.tomums.cn/
Company Name: Changzhou Yinghao Technology Development Co., Ltd  
Tel: 15151934985
Website: http://www.yingsapharm.com/
Company Name: Absin Bioscience Inc.  
Tel: 021-38015121 18438616290
Website: www.absin.cn/
Tags:1313883-00-9 Related Product Information
593-51-1 590-46-5 593-81-7 628-13-7

  • HomePage | Member Companies | Advertising | Contact us | Previous WebSite | MSDS | CAS Index | CAS DataBase | Privacy | Terms | About Us
  • All products displayed on this website are only for non-medical purposes such as industrial applications or scientific research, and cannot be used for clinical diagnosis or treatment of humans or animals. They are not medicinal or edible.
    According to relevant laws and regulations and the regulations of this website, units or individuals who purchase hazardous materials should obtain valid qualifications and qualification conditions.
  • Copyright © 2023 ChemicalBook All rights reserved.