Introduction：Basic information about CAS 916489-36-6|Monomethylauristatin D, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Monomethylauristatin D |
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| CAS Number | 916489-36-6 | Molecular Weight | 414.909 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 596.8±60.0 °C at 760 mmHg |
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| Molecular Formula | C20H19ClN4O2S | Melting Point | / |
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| MSDS | / | Flash Point | 314.7±32.9 °C |
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Names
| Name | Monomethylauristatin D |
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| Synonym | More Synonyms |
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Monomethylauristatin D BiologicalActivity
| Description | MS417 is a BET-specific BRD4 inhibitor, binds to BRD4-BD1 and BRD4-BD2 with IC50s of 30, 46 nM and Kds of 36.1, 25.4 nM, respectively, with weak selectivity at CBP BRD (IC50, 32.7 μM). |
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| Related Catalog | Signaling Pathways >>Epigenetics >>Epigenetic Reader DomainResearch Areas >>Inflammation/ImmunologyResearch Areas >>Infection |
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| Target | IC50: 30 nM (BRD4-BD1), 46 nM (BRD4-BD2), 32.7 μM (CBP BRD)[1] Kd: 36.1 nM (BRD4-BD1), 25.4 nM (BRD4-BD2)[1] |
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| In Vitro | MS417 is a BET-specific BRD4 inhibitor, binds to BRD4-BD1 and BRD4-BD2 with IC50s of 30, 46 nM and Kds of 36.1, 25.4 nM, respectively, with less selectivity at CBP BrD (IC50, 32.7 μM). MS417 effectively blocks BRD4 binding to NF-κB, almost completely suppresses TNFα-induced NF-κB transcription activation in human embryonic kidney 293T cells at 1 μM and also reduces NF-κB p65 acetylation in the HIV-infected RTECs. MS417 (1 μM) modulation of gene transcription in HIV-infected human primary renal tubular epithelial cells. In addition, MS417 suppresses NF-κB-targeted cytokines and chemokines[1]. |
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| In Vivo | MS417 (0.08 mg/kg) markedly improves renal function, reduces proteinuria and decreases glomerulosclerosis, tubular injury, and infiltration of inflammatory cells in the kidney of Tg26 mice[1]. |
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| References | [1]. Zhang G, et al. Down-regulation of NF-κB transcriptional activity in HIV-associated kidney disease by BRD4 inhibition. J Biol Chem. 2012 Aug 17;287(34):28840-51. |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 596.8±60.0 °C at 760 mmHg |
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| Molecular Formula | C20H19ClN4O2S |
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| Molecular Weight | 414.909 |
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| Flash Point | 314.7±32.9 °C |
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| Exact Mass | 414.091736 |
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| LogP | 3.26 |
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| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
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| Index of Refraction | 1.698 |
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| InChIKey | GGRCIHACOIMRKY-HNNXBMFYSA-N |
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| SMILES | COC(=O)CC1N=C(c2ccc(Cl)cc2)c2c(sc(C)c2C)-n2c(C)nnc21 |
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Synonyms
| N-Methyl-L-valyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]-1-pyrrolidinyl}-5-methyl-1-oxo-4-heptanyl]-N-methyl-L-valinamide |
| L-Valinamide, N-methyl-L-valyl-N-[(1S,2R)-2-methoxy-4-[(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[[(1S)-2-phenyl-1-(2-thiazolyl)ethyl]amino]propyl]-1-pyrrolidinyl]-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl- |
| MFCD25976743 |
| Demethyldolastatin 10 |
| Monomethylauristatin D |
| Monomethyl Dolastatin 10 |
| MMAD |
