STO609 structure
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Common Name | STO609 | ||
|---|---|---|---|---|
| CAS Number | 52029-86-4 | Molecular Weight | 314.29 | |
| Density | N/A | Boiling Point | 797.3ºC at 760 mmHg | |
| Molecular Formula | C19H10N2O3 | Melting Point | >300ºC | |
| MSDS | N/A | Flash Point | 436ºC | |
Use of STO609STO-609 is a selective and cell-permeable inhibitor of the Ca2+/calmodulin-dependent protein kinase kinase (CaM-KK), with Ki values of 80 and 15 ng/mL for recombinant CaM-KKα and CaM-KKβ, respectively. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | STO-609 acetate,7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylicacidacetate |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | STO-609 is a selective and cell-permeable inhibitor of the Ca2+/calmodulin-dependent protein kinase kinase (CaM-KK), with Ki values of 80 and 15 ng/mL for recombinant CaM-KKα and CaM-KKβ, respectively. |
|---|---|
| Related Catalog | |
| Target |
Ki: 80 ng/mL (CaM-KKα), 15 ng/mL (CaM-KKβ)[1] |
| In Vitro | STO-609 inhibits the activities of recombinant CaM-KKα and CaM-KKβ isoforms, with Ki values of 80 and 15 ng/mL, respectively, and also inhibits their autophosphorylation activities. STO-609 is highly selective for CaM-KK without any significant effect on the downstream CaM kinases (CaM-KI and -IV), and the IC50 value of the compound against CaM-KII is 10 μg/mL. STO-609 inhibits constitutively active CaM-KKα as well as the wild-type enzyme. In transfected HeLa cells, STO-609 suppresses the Ca2+-induced activation of CaM-KIV in a dose-dependent manner. STO-609 significantly reduces the endogenous activity of CaM-KK in SH-SY5Y neuroblastoma cells at a concentration of 1μg/mL (80% inhibitory rate)[1]. |
| Kinase Assay | CaM-KI (2.5 μg/mL), CaM-KII (0.75 μg/mL), CaM-KIV (9 μg/mL), and mLCK (0.6 μg/mL) are incubated with 40 μM syntide-2 or 50 μM mLC peptide (for mLCK) at 30 °C for 5 min in a solution (25 μL) containing 50 mM HEPES (pH 7.5), 10 mM Mg(Ac)2, 1 mM DTT, 50 μM [γ-32P]ATP (4500 cpm/pmol) with various concentrations of STO-609 (0–10 μg/mL)in Me2SO at a final concentration of 4%) in the presence of 1 mM CaCl2, 2 μM CaM. Protein kinase activity is measured by the phosphocellulose filter method. Specific activities of CaM-KI, CaM-KII, CaM-KIV, and mLCK in the absence of STO-609 are calculated[1]. STO-609 is bound in the ATP-binding pocket of the CaMKKβ KD. The inhibition mechanism of STO-609 is ATP-competitive[2]. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Boiling Point | 797.3ºC at 760 mmHg |
|---|---|
| Melting Point | >300ºC |
| Molecular Formula | C19H10N2O3 |
| Molecular Weight | 314.29 |
| Flash Point | 436ºC |
| PSA | 108.97000 |
| LogP | 3.38100 |
| Appearance of Characters | yellow solid |
| InChIKey | MYKOWOGZBMOVBJ-UHFFFAOYSA-N |
| SMILES | O=C(O)c1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21 |
| Storage condition | -20℃ |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Safety Phrases | 22-24/25 |
|---|---|
| WGK Germany | 3 |
| HS Code | 2933990090 |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Cytotoxicity activity against human HepG2 cells assessed by CellTiter-Glo luminescent...
Source: ChEMBL
Target: HepG2
External Id: CHEMBL5303715
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Name: Primary qHTS for inhibitors of NSP2Pro chikungunya virus (CHIKV)
Source: NCGC
External Id: APP-Toga-CHIKV-nsp2-p
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Name: Millipore: Percentage of residual kinase activity of PRKAA2 at 10uM relative to contr...
Source: ChEMBL
Target: 5'-AMP-activated protein kinase catalytic subunit alpha-1
External Id: CHEMBL2219380
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Name: Millipore: Percentage of residual kinase activity of NUAK1 at 1uM relative to control...
Source: ChEMBL
Target: NUAK family SNF1-like kinase 1
External Id: CHEMBL2219381
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Name: Millipore: Percentage of residual kinase activity of PRKAA1 at 10uM relative to contr...
Source: ChEMBL
Target: 5'-AMP-activated protein kinase catalytic subunit alpha-1
External Id: CHEMBL2219378
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Name: Millipore: Percentage of residual kinase activity of PRKAA2 at 1uM relative to contro...
Source: ChEMBL
Target: 5'-AMP-activated protein kinase catalytic subunit alpha-1
External Id: CHEMBL2219379
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Name: Millipore: Percentage of residual kinase activity of MAP3K5 at 10uM relative to contr...
Source: ChEMBL
Target: Mitogen-activated protein kinase kinase kinase 5
External Id: CHEMBL2218943
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Name: Millipore: Percentage of residual kinase activity of ABL1 at 1uM relative to control....
Source: ChEMBL
Target: Tyrosine-protein kinase ABL1
External Id: CHEMBL2218944
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Name: Millipore: Percentage of residual kinase activity of NUAK1 at 10uM relative to contro...
Source: ChEMBL
Target: NUAK family SNF1-like kinase 1
External Id: CHEMBL2219382
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Name: Millipore: Percentage of residual kinase activity of MAP3K5 at 1uM relative to contro...
Source: ChEMBL
Target: Mitogen-activated protein kinase kinase kinase 5
External Id: CHEMBL2219383
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| sto-609 |
| sto-609 acetic acid |
| sto-609 acetate |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of STO-609 acetate,7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylicacidacetate? |
| A: Molecular formula of STO-609 acetate,7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylicacidacetate is C19H10N2O3. |
| Q: What is the CAS number of STO-609 acetate,7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylicacidacetate? |
| A: CAS number of STO-609 acetate,7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylicacidacetate is 52029-86-4. |
| Q: What is the SMILES notation of STO-609 acetate,7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylicacidacetate? |
| A: SMILES notation of STO-609 acetate,7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylicacidacetate is O=C(O)c1ccc2c3c1cccc3c(=O)n1c3ccccc3nc21. |
| Q: What is the polar surface area (PSA) of STO-609 acetate,7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylicacidacetate? |
| A: Polar surface area (PSA) of STO-609 acetate,7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylicacidacetate is 108.97000. |
| Q: What is the LogP of STO-609 acetate,7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylicacidacetate? |
| A: LogP of STO-609 acetate,7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylicacidacetate is 3.38100. |
| Q: What is the boiling point of STO-609 acetate,7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylicacidacetate? |
| A: Boiling point of STO-609 acetate,7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylicacidacetate is 797.3ºC at 760 mmHg. |
| Q: What is the Chinese name of 52029-86-4? |
| A: Chinese name of 52029-86-4 is STO-609. |
| Q: What is the molecular weight of STO-609 acetate,7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylicacidacetate? |
| A: Molecular weight of STO-609 acetate,7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylicacidacetate is 314.29. |
| Q: What is the InChIKey of STO-609 acetate,7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylicacidacetate? |
| A: InChIKey of STO-609 acetate,7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylicacidacetate is MYKOWOGZBMOVBJ-UHFFFAOYSA-N. |
| Q: What is the safety information for STO-609 acetate,7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylicacidacetate? |
| A: Safety information for STO-609 acetate,7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylicacidacetate: 22-24/25. |
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. |