CYP1B1-IN-5
CYP1B1-IN-5 structure
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Common Name | CYP1B1-IN-5 | ||
|---|---|---|---|---|
| CAS Number | 176442-56-1 | Molecular Weight | 349.12 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C14H8INO2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Use of CYP1B1-IN-5CYP1B1-IN-5 (Compound 6q) is a potent and selective cytochrome P450 1B1 (CYP1B1) inhibitor with an IC50 of 4.7 nM[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | CYP1B1-IN-5 |
|---|
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | CYP1B1-IN-5 (Compound 6q) is a potent and selective cytochrome P450 1B1 (CYP1B1) inhibitor with an IC50 of 4.7 nM[1]. |
|---|---|
| Related Catalog | |
| Target |
CYP1B1:4.7 nM (IC50) CYP1A1:190.7 nM (IC50) CYP1A2:585.7 nM (IC50) |
| In Vitro | CYP1B1-IN-5 (Compound 6q) 通过与残基 Phe231、Phe134 和血红素形成 π-π 叠加相互作用，与 CYP1B1 的结合口袋结合[1]。 |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C14H8INO2 |
|---|---|
| Molecular Weight | 349.12 |
| InChIKey | WQHAEZGAZWZFHQ-UHFFFAOYSA-N |
| SMILES | O=c1oc(-c2ccc(I)cc2)nc2ccccc12 |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibitory activity against C1r serine protease
Source: ChEMBL
Target: Complement C1r subcomponent
External Id: CHEMBL655966
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Name: Inhibitory activity against C1r serine protease
Source: ChEMBL
Target: Complement C1r subcomponent
External Id: CHEMBL655967
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Name: Compound was evaluated for percentage inhibitory activity against C1r serine protease...
Source: ChEMBL
Target: Complement C1r subcomponent
External Id: CHEMBL655970
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This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of CYP1B1-IN-5? |
| A: CAS number of CYP1B1-IN-5 is 176442-56-1. |
| Q: What are the uses of CYP1B1-IN-5? |
| A: Main uses of CYP1B1-IN-5: CYP1B1-IN-5 (Compound 6q) is a potent and selective cytochrome P450 1B1 (CYP1B1) inhibitor with an IC50 of 4.7 nM[1]. |
| Q: What is the Chinese name of 176442-56-1? |
| A: Chinese name of 176442-56-1 is 176442-56-1. |
| Q: What is the SMILES notation of CYP1B1-IN-5? |
| A: SMILES notation of CYP1B1-IN-5 is O=c1oc(-c2ccc(I)cc2)nc2ccccc12. |
| Q: What is the molecular formula of CYP1B1-IN-5? |
| A: Molecular formula of CYP1B1-IN-5 is C14H8INO2. |
| Q: What is the English name of CYP1B1-IN-5? |
| A: The English name of CYP1B1-IN-5 is CYP1B1-IN-5. |
| Q: What is the InChIKey of CYP1B1-IN-5? |
| A: InChIKey of CYP1B1-IN-5 is WQHAEZGAZWZFHQ-UHFFFAOYSA-N. |
| Q: What is the molecular weight of CYP1B1-IN-5? |
| A: Molecular weight of CYP1B1-IN-5 is 349.12. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |