5-Bromotubercidin
5-Bromotubercidin structure
|
Common Name | 5-Bromotubercidin | ||
|---|---|---|---|---|
| CAS Number | 21193-80-6 | Molecular Weight | 345.149 | |
| Density | 2.3±0.1 g/cm3 | Boiling Point | 686.9±55.0 °C at 760 mmHg | |
| Molecular Formula | C11H13BrN4O4 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 369.3±31.5 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Tubercidin, 5-bromo |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 2.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 686.9±55.0 °C at 760 mmHg |
| Molecular Formula | C11H13BrN4O4 |
| Molecular Weight | 345.149 |
| Flash Point | 369.3±31.5 °C |
| Exact Mass | 344.012024 |
| PSA | 126.65000 |
| LogP | 0.65 |
| Vapour Pressure | 0.0±2.2 mmHg at 25°C |
| Index of Refraction | 1.870 |
| InChIKey | ZWTPRQXZXQEKFT-IOSLPCCCSA-N |
| SMILES | Nc1ncnc2c1c(Br)cn2C1OC(CO)C(O)C1O |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~62%
5-Bromotubercidin CAS#:21193-80-6 |
| Literature: Seela, Frank; Ming, Xin Tetrahedron, 2007 , vol. 63, # 39 p. 9850 - 9861 |
|
~%
5-Bromotubercidin CAS#:21193-80-6 |
| Literature: Seela, Frank; Ming, Xin Tetrahedron, 2007 , vol. 63, # 39 p. 9850 - 9861 |
![(2R,3R,4R,5R)-2-(benzoyloxymethyl)-5-(5-bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)tetra-hydrofuran-3,4-diyl dibenzoate structure](https://image.chemsrc.com/caspic/382/952429-11-7.png)
![5-Bromo-4-chloro-1H-pyrrolo[2,3-d]pyrimidine structure](https://image.chemsrc.com/caspic/208/22276-95-5.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Concentration required to cause a microscopically detectable alteration in cell morph...
Source: ChEMBL
Target: Vero
External Id: CHEMBL844800
|
|
Name: Concentration required to reduce coxsackie virus 4 induced cytopathogenicity by 50% i...
Source: ChEMBL
Target: Coxsackievirus B4
External Id: CHEMBL822887
|
|
Name: Inhibition of recombinant human adenosine kinase
Source: ChEMBL
Target: Adenosine kinase
External Id: CHEMBL642225
|
|
Name: Tested for in vitro cell growth inhibition of L1210 cells
Source: ChEMBL
Target: L1210
External Id: CHEMBL704558
|
|
Name: Concentration required to reduce coxsackie virus B4 induced cytopathogenicity by 50% ...
Source: ChEMBL
Target: Coxsackievirus B4
External Id: CHEMBL822425
|
|
Name: Inhibition of human adenosine kinase activity
Source: ChEMBL
Target: Adenosine kinase
External Id: CHEMBL643547
|
|
Name: Inhibition concentration against human adenosine kinase
Source: ChEMBL
Target: Adenosine kinase
External Id: CHEMBL643550
|
|
Name: Cytotoxicity of compound was determined visually in human diploid fibroblasts (HFF).
Source: ChEMBL
Target: N/A
External Id: CHEMBL693061
|
|
Name: Concentration required to cause a microscopically detectable alteration in cell morph...
Source: ChEMBL
Target: HeLa
External Id: CHEMBL690308
|
|
Name: Inhibition of adenosine kinase
Source: ChEMBL
Target: Adenosine kinase
External Id: CHEMBL969249
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 5-Bromo-7-(β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| bromotubercidin |
| (2R,3R,4R,5R)-2-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetra-hydrofuran-3,4-diol |
| 5-Bromo-7-(D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| 5-bromotubercidin |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of Tubercidin, 5-bromo? |
| A: SMILES notation of Tubercidin, 5-bromo is Nc1ncnc2c1c(Br)cn2C1OC(CO)C(O)C1O. |
| Q: What is the English name of Tubercidin, 5-bromo? |
| A: The English name of Tubercidin, 5-bromo is Tubercidin, 5-bromo. |
| Q: What is the molecular formula of Tubercidin, 5-bromo? |
| A: Molecular formula of Tubercidin, 5-bromo is C11H13BrN4O4. |
| Q: What is the CAS number of Tubercidin, 5-bromo? |
| A: CAS number of Tubercidin, 5-bromo is 21193-80-6. |
| Q: What are the upstream materials of Tubercidin, 5-bromo? |
| A: Related upstream materials(CAS) of Tubercidin, 5-bromo: 22276-95-5. |
| Q: What is the LogP of Tubercidin, 5-bromo? |
| A: LogP of Tubercidin, 5-bromo is 0.65. |
| Q: What is the molecular weight of Tubercidin, 5-bromo? |
| A: Molecular weight of Tubercidin, 5-bromo is 345.149. |
| Q: What English synonyms does Tubercidin, 5-bromo have? |
| A: English synonyms of Tubercidin, 5-bromo: 5-Bromo-7-(β-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, bromotubercidin, (2R,3R,4R,5R)-2-(4-amino-5-bromo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-5-(hydroxymethyl)tetra-hydrofuran-3,4-diol, 5-Bromo-7-(D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine, 5-bromotubercidin. |
| Q: What is the polar surface area (PSA) of Tubercidin, 5-bromo? |
| A: Polar surface area (PSA) of Tubercidin, 5-bromo is 126.65000. |
| Q: What is the InChIKey of Tubercidin, 5-bromo? |
| A: InChIKey of Tubercidin, 5-bromo is ZWTPRQXZXQEKFT-IOSLPCCCSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |