Macbecin I
Modify Date: 2025-08-27 09:46:27
Macbecin I structure
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Common Name | Macbecin I | ||
|---|---|---|---|---|
| CAS Number | 73341-72-7 | Molecular Weight | 558.66300 | |
| Density | 1.17g/cm3 | Boiling Point | 736.2ºC at 760 mmHg | |
| Molecular Formula | C30H42N2O8 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 399ºC | |
Use of Macbecin IMacbecin is a stable HSP90 inhibitor by binding to the ATP-binding site with an IC50 of 2 μM and a Kd of 0.24 μM. Macbecin exhibits antitumor and cytocidal activities[1]. |
| Name | Macbecin I,(15R)-6,17-Didemethoxy-15-methoxy-6-methyl-11-O-methyl-geldanamycin |
|---|---|
| Synonym | More Synonyms |
| Description | Macbecin is a stable HSP90 inhibitor by binding to the ATP-binding site with an IC50 of 2 μM and a Kd of 0.24 μM. Macbecin exhibits antitumor and cytocidal activities[1]. |
|---|---|
| Related Catalog | |
| Target |
HSP90:2 μM (IC50) HSP90:0.24 μM (Kd) |
| References |
| Density | 1.17g/cm3 |
|---|---|
| Boiling Point | 736.2ºC at 760 mmHg |
| Molecular Formula | C30H42N2O8 |
| Molecular Weight | 558.66300 |
| Flash Point | 399ºC |
| Exact Mass | 558.29400 |
| PSA | 143.25000 |
| LogP | 4.36350 |
| Index of Refraction | 1.545 |
| InChIKey | PLTGBUPHJAKFMA-FYJPNMAESA-N |
| SMILES | COC1CC(C)C(OC)C2=CC(=O)C=C(NC(=O)C(C)=CC=CC(C)C(OC(N)=O)C(C)=CC(C)C1OC)C2=O |
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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Name: Antitumor activity against human DU145 tumor xenografted mouse assessed delay for tum...
Source: ChEMBL
Target: DU-145
External Id: CHEMBL987013
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Name: Antitumor activity against human DU145 tumor xenografted mouse assessed delay for tum...
Source: ChEMBL
Target: DU-145
External Id: CHEMBL987012
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Name: Toxicity in human DU145 cells xenografted mouse assessed as loss of body weight at 10...
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL987014
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Name: Degradation of ErbB2 in human DU145 cell lysate by Western blot
Source: ChEMBL
Target: DU-145
External Id: CHEMBL987009
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Name: Experimentally measured binding affinity data (Kd) for protein-ligand complexes deriv...
Source: Shanghai Institute of Organic Chemistry
Target: N/A
External Id: PDBbind-Kd for protein-ligand complexes
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Name: Antitumor activity against human UXL 1138L cells
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL987008
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Name: Antitumor activity against human DU145 tumor xenografted mouse at 10 mg/kg, ip measur...
Source: ChEMBL
Target: DU-145
External Id: CHEMBL987011
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Name: Degradation of cRaf1 in human DU145 cell lysate by Western blot
Source: ChEMBL
Target: DU-145
External Id: CHEMBL987010
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Name: Antitumor activity against human CNXF 498NL cells
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL984368
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Name: Antitumor activity against human BXF T24 cells
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL984367
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| macbecin I |