5H-Benzocycloheptene-2-carboxamide, N-[4-(1-cyano-1-methylethyl)phenyl]-6,7,8,9-tetrahydro-3-methoxy-
![5H-Benzocycloheptene-2-carboxamide, N-[4-(1-cyano-1-methylethyl)phenyl]-6,7,8,9-tetrahydro-3-methoxy- Structure](CAS/20210305/GIF/2361289-44-1.gif)
- CAS No.
- 2361289-44-1
- Chemical Name:
- 5H-Benzocycloheptene-2-carboxamide, N-[4-(1-cyano-1-methylethyl)phenyl]-6,7,8,9-tetrahydro-3-methoxy-
- Synonyms
- CHIKV-IN-2;N-(4-(2-cyanopropan-2-yl)phenyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide;Dihydroorotate Dehydrogenase,CHIKV,DHODH,virus,inhibit,CHIKV IN 2,Chikungunya,Inhibitor,CHIKVIN2;5H-Benzocycloheptene-2-carboxamide, N-[4-(1-cyano-1-methylethyl)phenyl]-6,7,8,9-tetrahydro-3-methoxy-
- CBNumber:
- CB99040550
- Molecular Formula:
- C23H26N2O2
- Molecular Weight:
- 362.46
- MDL Number:
- MFCD34368513
- MOL File:
- 2361289-44-1.mol
5H-Benzocycloheptene-2-carboxamide, N-[4-(1-cyano-1-methylethyl)phenyl]-6,7,8,9-tetrahydro-3-methoxy- Properties
| Boiling point | 504.8±50.0 °C(Predicted) |
|---|---|
| Density | 1.143±0.06 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| solubility | DMSO : 100 mg/mL (275.89 mM; Need ultrasonic) |
| pka | 13.28±0.70(Predicted) |
| form | Solid |
| color | White to off-white |
5H-Benzocycloheptene-2-carboxamide, N-[4-(1-cyano-1-methylethyl)phenyl]-6,7,8,9-tetrahydro-3-methoxy- Chemical Properties,Uses,Production
Biological Activity
CHIKV-IN-2 is a potent inhibitor against Chikungunya virus (CHIKV), with excellent cellular antiviral activity (EC90=270 nM) and improved liver microsomal stability. CHIKV-IN-2 shows inhibitory activity against a cellular target Dihydroorotate Dehydrogenase (DHODH), which interacts with various viruses and regulate their replication via depleting intracellular pyrimidine pools[1]. CHIKV-IN-2 (compound 8q) is a potent pan-alphavirus inhibitor, with EC90s of 0.85-2.5 μM for CHIKV clinical isolates and attenuated vaccine strains[1].CHIKV-IN-2 is active against alphavirus VEEV (EC90=0.40 μM) as well as flaviviruses such as West Nile Virus (WNV, EC90=0.20 μM) and Dengue Virus Strain-2 (DENV-2, EC90=0.60 μM)[1]. CHIKV-IN-2 (compound 8q) (80 mg/kg; i.p. twice a day for 3 days) significantly decreases infectious CHIKV dissemination to other tissues of mice[1].CHIKV-IN-2 (40 mg/kg; p.o., i.p., s.c.) exhibits moderate bioavailability (F=41%, 43%, 4%), terminal elimination half-life (t1/2=9.9, 18.5, 18.6 h) and Cmax (642, 858, 90 ng/mL) in mice[1].CHIKV-IN-2 (1 mg/kg; i.v.) exhibits terminal elimination half-life (t1/2= 2.02 h) and AUC (497 h?ng/mL) in mice[1].
References
[1]. Ahmed SK, et, al. Targeting Chikungunya Virus Replication by Benzoannulene Inhibitors. J Med Chem. 2021 Apr 22;64(8):4762-4786.
5H-Benzocycloheptene-2-carboxamide, N-[4-(1-cyano-1-methylethyl)phenyl]-6,7,8,9-tetrahydro-3-methoxy- Preparation Products And Raw materials
Raw materials
Preparation Products
5H-Benzocycloheptene-2-carboxamide, N-[4-(1-cyano-1-methylethyl)phenyl]-6,7,8,9-tetrahydro-3-methoxy- Suppliers
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| TargetMol Chemicals Inc. | +1-781-999-5354 | support@targetmol.com | United States | 19973 | 58 |
| Aladdin Scientific | +1-+1(833)-552-7181 | sales@aladdinsci.com | United States | 52927 | 58 |
| Wuhan Jingkang en Biomedical Technology Co., Ltd | +8613720134139 | orders@jknbiochem.com | China | 5225 | 58 |
| Zhengzhou HSH Science & Technology Co., Ltd. | 0371-55932928 18937192232 | 1282296214@qq.com | China | 498 | 55 |
| Shanghai Lollane Biological Technology Co.,Ltd. | 021-52996696，15000506266 15000506266 | China | 4296 | 55 | |
| Shanghai Chaolan Chemical Technology Center | QQ:65489617 15618227136 | info@SuperLan-chem.com | China | 9941 | 58 |
| TargetMol Chemicals Inc. | 4008200310 | marketing@tsbiochem.com | China | 23963 | 58 |
| Wuhan Jingkangen Biomedical Technology Co., Ltd | 13720134139 13720134139 | orders@jknbiochem.com | China | 5404 | 58 |
| https://hanhongsci.com/ | 021-54306202 18917919676 | info@hanhongsci.com | China | 29978 | 58 |
| RD International Technology Co., Limited | 18024082417 | market@ubiochem.com | China | 9268 | 58 |