(+/-)-PINDOBIND
(+/-)-PINDOBIND structure
|
Common Name | (+/-)-PINDOBIND | ||
|---|---|---|---|---|
| CAS Number | 106469-52-7 | Molecular Weight | 480.43800 | |
| Density | 1.33g/cm3 | Boiling Point | 692.7ºC at 760mmHg | |
| Molecular Formula | C23H34BrN3O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 372.7ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide |
|---|---|
| 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 | 1.33g/cm3 |
|---|---|
| Boiling Point | 692.7ºC at 760mmHg |
| Molecular Formula | C23H34BrN3O3 |
| Molecular Weight | 480.43800 |
| Flash Point | 372.7ºC |
| Exact Mass | 479.17800 |
| PSA | 89.87000 |
| LogP | 4.96700 |
| Vapour Pressure | 3.83E-20mmHg at 25°C |
| Index of Refraction | 1.604 |
| InChIKey | XSAGAZCYTLNCEN-UHFFFAOYSA-N |
| SMILES | CC1(NC(=O)CBr)CCC(C(C)(C)NCC(O)COc2cccc3[nH]ccc23)CC1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| WGK Germany | 3 |
|---|
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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(+/-)-PINDOBIND CAS#:106469-52-7 |
| Literature: Pitha, Josef; Buchowiecki, Wieslaw; Milecki, Jan; Kusiak, John W. Journal of Medicinal Chemistry, 1987 , vol. 30, # 4 p. 612 - 615 |
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: Percent potency for irreversible blockade of the [3H]dihydroalprenolol binding to bet...
Source: ChEMBL
Target: Beta-3 adrenergic receptor
External Id: CHEMBL652011
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|
Name: Percent potency for irreversible blockade of the [3H]dihydroalprenolol binding to bet...
Source: ChEMBL
Target: Beta-3 adrenergic receptor
External Id: CHEMBL652663
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|
Name: Concentration of binding sites of protein for [3H]dihydroalprenolol binding to beta a...
Source: ChEMBL
Target: Beta-3 adrenergic receptor
External Id: CHEMBL651220
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|
Name: Concentration of binding sites of protein for [3H]dihydroalprenolol binding to beta a...
Source: ChEMBL
Target: Beta-3 adrenergic receptor
External Id: CHEMBL651224
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Pindobind |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide? |
| A: The English name of 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide is 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide. |
| Q: What is the SMILES notation of 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide? |
| A: SMILES notation of 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide is CC1(NC(=O)CBr)CCC(C(C)(C)NCC(O)COc2cccc3[nH]ccc23)CC1. |
| Q: What is the boiling point of 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide? |
| A: Boiling point of 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide is 692.7ºC at 760mmHg. |
| Q: What is the InChIKey of 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide? |
| A: InChIKey of 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide is XSAGAZCYTLNCEN-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide? |
| A: Polar surface area (PSA) of 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide is 89.87000. |
| Q: What English synonyms does 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide have? |
| A: English synonyms of 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide: Pindobind. |
| Q: What are the upstream materials of 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide? |
| A: Related upstream materials(CAS) of 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide: 2380-94-1. |
| Q: What is the LogP of 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide? |
| A: LogP of 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide is 4.96700. |
| Q: What is the molecular formula of 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide? |
| A: Molecular formula of 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide is C23H34BrN3O3. |
| Q: What is the CAS number of 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide? |
| A: CAS number of 2-bromo-N-[4-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide is 106469-52-7. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |