(1,1,2,3,3,3-HEXAFLUOROPROPYL)-1,4-DIOXANE,RACEMIC structure
|
Common Name | (1,1,2,3,3,3-HEXAFLUOROPROPYL)-1,4-DIOXANE,RACEMIC | ||
|---|---|---|---|---|
| CAS Number | 52188-11-1 | Molecular Weight | 241.22100 | |
| Density | 1.665g/cm3 | Boiling Point | 514ºC at 760 mmHg | |
| Molecular Formula | C9H7NO5S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 264.7ºC | |
| Name | 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid |
|---|
| Density | 1.665g/cm3 |
|---|---|
| Boiling Point | 514ºC at 760 mmHg |
| Molecular Formula | C9H7NO5S |
| Molecular Weight | 241.22100 |
| Flash Point | 264.7ºC |
| Exact Mass | 241.00400 |
| PSA | 100.13000 |
| LogP | 0.93440 |
| Index of Refraction | 1.653 |
| InChIKey | MQAZHTHFEBUHCD-UHFFFAOYSA-N |
| SMILES | O=C(O)CN1C(=O)c2ccccc2S1(=O)=O |
| HS Code | 2934999090 |
|---|
|
~86%
(1,1,2,3,3,3-HE... CAS#:52188-11-1 |
| Literature: D'Ascenzio, Melissa; Carradori, Simone; De Monte, Celeste; Secci, Daniela; Ceruso, Mariangela; Supuran, Claudiu T. Bioorganic and Medicinal Chemistry, 2014 , vol. 22, # 6 p. 1821 - 1831 |
|
~%
(1,1,2,3,3,3-HE... CAS#:52188-11-1 |
| Literature: Chiesi Farmaceutici S.p.A.; ARMANI, Elisabetta; Amari, Gabriele; Capaldi, Carmelida; Carzaniga, Laura; La Porta, Elena; Guala, Matilde Patent: US2013/102576 A1, 2013 ; |
|
~%
(1,1,2,3,3,3-HE... CAS#:52188-11-1 |
| Literature: Wrobel, Jay; Dietrich, Arlene; Woolson, Shiela A.; Millen, Jane; McCaleb, Michael; et al. Journal of Medicinal Chemistry, 1992 , vol. 35, # 24 p. 4613 - 4627 |
|
~54%
(1,1,2,3,3,3-HE... CAS#:52188-11-1 |
| Literature: Soubh; Besch; Otto, Hans-Hartwig Pharmazie, 2002 , vol. 57, # 6 p. 384 - 392 |
|
~56%
(1,1,2,3,3,3-HE... CAS#:52188-11-1 |
| Literature: Arief Phosphorus, Sulfur and Silicon and Related Elements, 1996 , vol. 114, # 1-4 p. 129 - 134 |
|
~%
(1,1,2,3,3,3-HE... CAS#:52188-11-1 |
| Literature: Abe; Yamamoto Yakugaku Zasshi, 1953 , vol. 73, p. 1322,1325 Chem.Abstr., 1955 , p. 177 |
|
~%
(1,1,2,3,3,3-HE... CAS#:52188-11-1 |
| Literature: Reddy, Yervala D.; Kumar, Padam P.; Devi, Bhoomireddy R.; Dubey, Pramod K.; Kumari, Yalamanchili B. Letters in Organic Chemistry, 2013 , vol. 10, # 1 p. 70 - 76 |
|
~%
(1,1,2,3,3,3-HE... CAS#:52188-11-1 |
| Literature: Miao, Lei; Xu, Liang; Narducy, Kenneth W.; Trudell, Mark L. Organic Process Research and Development, 2009 , vol. 13, # 4 p. 820 - 822 |
| Precursor 9 | |
|---|---|
| DownStream 4 | |
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|
Name: Selectivity ratio of Ki for human carbonic anhydrase 1 to Ki for human carbonic anhyd...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3129536
|
|
Name: Selectivity ratio of Ki for human carbonic anhydrase 2 to Ki for human carbonic anhyd...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3129537
|
|
Name: Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay
Source: ChEMBL
Target: Carbonic anhydrase 12
External Id: CHEMBL3129538
|
|
Name: Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay
Source: ChEMBL
Target: Carbonic anhydrase 9
External Id: CHEMBL3129539
|
|
Name: Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay
Source: ChEMBL
Target: Carbonic anhydrase 1
External Id: CHEMBL3129540
|
|
Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
|
|
Name: Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay
Source: ChEMBL
Target: Carbonic anhydrase 2
External Id: CHEMBL3129541
|
|
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
|
|
Name: Dicer-mediated maturation of pre-microRNA
Source: Center for Chemical Genomics, University of Michigan
Target: N/A
External Id: TargetID_659_CEMA
|
|
Name: Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by sto...
Source: ChEMBL
Target: Carbonic anhydrase 12
External Id: CHEMBL3762504
|