1026785-55-6
1026785-55-6 structure
- Name: VX-222
- Chemical Name: 5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
- CAS Number: 1026785-55-6
- Molecular Formula: C25H35NO4S
- Molecular Weight: 445.615
- Create Date: 2017-05-22 00:51:23
- Modify Date: 2024-01-02 01:06:38
| Name | 5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid |
|---|---|
| Synonyms |
5-(3,3-Dimethyl-1-butyn-1-yl)-3-{(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino}-2-thiophenecarboxylic acid
VX222 VCH222 5-(3,3-dimethylbut-1-ynyl)-3-[(trans-4-hydroxycyclohexyl)-(4-trans-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid 5-(3,3-dimethylbut-1-ynyl)-3-((1r,4r)-N-(4-hydroxycyclohexyl)-4-methylcyclohexanecarboxamido)thiophene-2-carboxylic acid 2-Thiophenecarboxylic acid, 5-(3,3-dimethyl-1-butyn-1-yl)-3-[(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]- 5-(3,3-dimethylbut-1-ynyl)-3-{(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino}thiophene-2-carboxylic acid VX-222 VX-222 (VCH-222,Lomibuvir) 5-(3,3-dimethylbut-1-ynyl)-3-[(trans-4-hydroxycyclohexyl)-(trans-4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid Lomibuvir |
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 640.5±55.0 °C at 760 mmHg |
| Molecular Formula | C25H35NO4S |
| Molecular Weight | 445.615 |
| Flash Point | 341.2±31.5 °C |
| Exact Mass | 445.228668 |
| PSA | 106.08000 |
| LogP | 5.15 |
| Vapour Pressure | 0.0±2.0 mmHg at 25°C |
| Index of Refraction | 1.589 |
|
~78%
1026785-55-6 |
| Literature: Lazerwith, Scott E.; Lew, Willard; Zhang, Jennifer; Morganelli, Philip; Liu, Qi; Canales, Eda; Clarke, Michael O.; Doerffler, Edward; Byun, Daniel; Mertzman, Michael; Ye, Hong; Chong, Lee; Xu, Lianhong; Appleby, Todd; Chen, Xiaowu; Fenaux, Martijn; Hashash, Ahmad; Leavitt, Stephanie A.; Mabery, Eric; Matles, Mike; Mwangi, Judy W.; Tian, Yang; Lee, Yu-Jen; Zhang, Jingyu; Zhu, Christine; Murray, Bernard P.; Watkins, William J. Journal of Medicinal Chemistry, 2014 , vol. 57, # 5 p. 1893 - 1901 |
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~%
1026785-55-6 |
| Literature: Lazerwith, Scott E.; Lew, Willard; Zhang, Jennifer; Morganelli, Philip; Liu, Qi; Canales, Eda; Clarke, Michael O.; Doerffler, Edward; Byun, Daniel; Mertzman, Michael; Ye, Hong; Chong, Lee; Xu, Lianhong; Appleby, Todd; Chen, Xiaowu; Fenaux, Martijn; Hashash, Ahmad; Leavitt, Stephanie A.; Mabery, Eric; Matles, Mike; Mwangi, Judy W.; Tian, Yang; Lee, Yu-Jen; Zhang, Jingyu; Zhu, Christine; Murray, Bernard P.; Watkins, William J. Journal of Medicinal Chemistry, 2014 , vol. 57, # 5 p. 1893 - 1901 |
|
~%
1026785-55-6 |
| Literature: Lazerwith, Scott E.; Lew, Willard; Zhang, Jennifer; Morganelli, Philip; Liu, Qi; Canales, Eda; Clarke, Michael O.; Doerffler, Edward; Byun, Daniel; Mertzman, Michael; Ye, Hong; Chong, Lee; Xu, Lianhong; Appleby, Todd; Chen, Xiaowu; Fenaux, Martijn; Hashash, Ahmad; Leavitt, Stephanie A.; Mabery, Eric; Matles, Mike; Mwangi, Judy W.; Tian, Yang; Lee, Yu-Jen; Zhang, Jingyu; Zhu, Christine; Murray, Bernard P.; Watkins, William J. Journal of Medicinal Chemistry, 2014 , vol. 57, # 5 p. 1893 - 1901 |
|
~%
1026785-55-6 |
| Literature: Lazerwith, Scott E.; Lew, Willard; Zhang, Jennifer; Morganelli, Philip; Liu, Qi; Canales, Eda; Clarke, Michael O.; Doerffler, Edward; Byun, Daniel; Mertzman, Michael; Ye, Hong; Chong, Lee; Xu, Lianhong; Appleby, Todd; Chen, Xiaowu; Fenaux, Martijn; Hashash, Ahmad; Leavitt, Stephanie A.; Mabery, Eric; Matles, Mike; Mwangi, Judy W.; Tian, Yang; Lee, Yu-Jen; Zhang, Jingyu; Zhu, Christine; Murray, Bernard P.; Watkins, William J. Journal of Medicinal Chemistry, 2014 , vol. 57, # 5 p. 1893 - 1901 |
|
~%
1026785-55-6 |
| Literature: Lazerwith, Scott E.; Lew, Willard; Zhang, Jennifer; Morganelli, Philip; Liu, Qi; Canales, Eda; Clarke, Michael O.; Doerffler, Edward; Byun, Daniel; Mertzman, Michael; Ye, Hong; Chong, Lee; Xu, Lianhong; Appleby, Todd; Chen, Xiaowu; Fenaux, Martijn; Hashash, Ahmad; Leavitt, Stephanie A.; Mabery, Eric; Matles, Mike; Mwangi, Judy W.; Tian, Yang; Lee, Yu-Jen; Zhang, Jingyu; Zhu, Christine; Murray, Bernard P.; Watkins, William J. Journal of Medicinal Chemistry, 2014 , vol. 57, # 5 p. 1893 - 1901 |
|
~%
1026785-55-6 |
| Literature: Lazerwith, Scott E.; Lew, Willard; Zhang, Jennifer; Morganelli, Philip; Liu, Qi; Canales, Eda; Clarke, Michael O.; Doerffler, Edward; Byun, Daniel; Mertzman, Michael; Ye, Hong; Chong, Lee; Xu, Lianhong; Appleby, Todd; Chen, Xiaowu; Fenaux, Martijn; Hashash, Ahmad; Leavitt, Stephanie A.; Mabery, Eric; Matles, Mike; Mwangi, Judy W.; Tian, Yang; Lee, Yu-Jen; Zhang, Jingyu; Zhu, Christine; Murray, Bernard P.; Watkins, William J. Journal of Medicinal Chemistry, 2014 , vol. 57, # 5 p. 1893 - 1901 |
|
~%
1026785-55-6 |
| Literature: Lazerwith, Scott E.; Lew, Willard; Zhang, Jennifer; Morganelli, Philip; Liu, Qi; Canales, Eda; Clarke, Michael O.; Doerffler, Edward; Byun, Daniel; Mertzman, Michael; Ye, Hong; Chong, Lee; Xu, Lianhong; Appleby, Todd; Chen, Xiaowu; Fenaux, Martijn; Hashash, Ahmad; Leavitt, Stephanie A.; Mabery, Eric; Matles, Mike; Mwangi, Judy W.; Tian, Yang; Lee, Yu-Jen; Zhang, Jingyu; Zhu, Christine; Murray, Bernard P.; Watkins, William J. Journal of Medicinal Chemistry, 2014 , vol. 57, # 5 p. 1893 - 1901 |
| Precursor 5 | |
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| DownStream 0 | |