BORTEZOMIB-PINANEDIOL
BORTEZOMIB-PINANEDIOL structure
|
Common Name | BORTEZOMIB-PINANEDIOL | ||
|---|---|---|---|---|
| CAS Number | 205393-22-2 | Molecular Weight | 518.455 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 719.5±60.0 °C at 760 mmHg | |
| Molecular Formula | C29H39BN4O4 | Melting Point | 75-83ºC | |
| MSDS | N/A | Flash Point | 389.0±32.9 °C | |
Use of BORTEZOMIB-PINANEDIOLBortezomib-pinanediol is a prodrug of Bortezomib, as well as a proteasome inhibitor. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | bortezomib-pinanediol |
|---|---|
| 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 | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 719.5±60.0 °C at 760 mmHg |
| Melting Point | 75-83ºC |
| Molecular Formula | C29H39BN4O4 |
| Molecular Weight | 518.455 |
| Flash Point | 389.0±32.9 °C |
| Exact Mass | 518.306458 |
| PSA | 102.44000 |
| LogP | 4.81780 |
| Vapour Pressure | 0.0±2.3 mmHg at 25°C |
| Index of Refraction | 1.572 |
| InChIKey | HZCSTPSWJFWZHP-GQABWHEGSA-N |
| SMILES | CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B1OC2CC3CC(C3(C)C)C2(C)O1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
![tert-butyl [1-({(1S)-3-methyl-1-[(3aS,4S,6S,7aS)-3a,5,5-trimethylhexahydro-4,6-methano-1,3,2-benzodioxaborol-2-yl]butyl}amino)-1-oxo-3-phenylpropan-2-yl]carbamate structure](https://image.chemsrc.com/caspic/378/1187479-72-6.png)
![(S)-2-Amino-N-((R)-3-methyl-1-((3aS,4S,6S,7aR)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborol-2-yl)butyl)-3-phenylpropanamide structure](https://image.chemsrc.com/caspic/114/789472-91-9.png)
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 1 | |
CAS#:179324-69-7This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of chymotrypsin-like activity of human 20s proteasome beta 5 subunit asses...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1027683
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Name: Inhibition of N-terminal His6-sumo-tagged full length Staphylococcus aureus ClpP expr...
Source: ChEMBL
Target: ATP-dependent Clp protease proteolytic subunit
External Id: CHEMBL4404284
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Bortezomib pinanediol ester |
| N-{(1R)-3-Methyl-1-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0]dec-4-yl]butyl}-Nα-(2-pyrazinylcarbonyl)-L-phenylalaninamide |
| Bortezomib intermediates III |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of bortezomib-pinanediol? |
| A: Polar surface area (PSA) of bortezomib-pinanediol is 102.44000. |
| Q: What are the downstream products of bortezomib-pinanediol? |
| A: Related downstream products(CAS) of bortezomib-pinanediol: 179324-69-7. |
| Q: What is the boiling point of bortezomib-pinanediol? |
| A: Boiling point of bortezomib-pinanediol is 719.5±60.0 °C at 760 mmHg. |
| Q: What are the uses of bortezomib-pinanediol? |
| A: Main uses of bortezomib-pinanediol: Bortezomib-pinanediol is a prodrug of Bortezomib, as well as a proteasome inhibitor. |
| Q: What is the melting point of bortezomib-pinanediol? |
| A: Melting point of bortezomib-pinanediol is 75-83ºC. |
| Q: What is the English name of bortezomib-pinanediol? |
| A: The English name of bortezomib-pinanediol is bortezomib-pinanediol. |
| Q: What is the InChIKey of bortezomib-pinanediol? |
| A: InChIKey of bortezomib-pinanediol is HZCSTPSWJFWZHP-GQABWHEGSA-N. |
| Q: What is the molecular weight of bortezomib-pinanediol? |
| A: Molecular weight of bortezomib-pinanediol is 518.455. |
| Q: What is the molecular formula of bortezomib-pinanediol? |
| A: Molecular formula of bortezomib-pinanediol is C29H39BN4O4. |
| Q: What is the SMILES notation of bortezomib-pinanediol? |
| A: SMILES notation of bortezomib-pinanediol is CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)c1cnccn1)B1OC2CC3CC(C3(C)C)C2(C)O1. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |