Introduction：Basic information about CAS 159776-69-9|Cemadotin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Cemadotin |
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| CAS Number | 159776-69-9 | Molecular Weight | 640.85600 |
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| Density | 1.138g/cm3 | Boiling Point | 857.7ºC at 760mmHg |
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| Molecular Formula | C35H56N6O5 | Melting Point | / |
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| MSDS | / | Flash Point | 472.5ºC |
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Names
| Name | (2S)-1-benzyl-N-[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-N-[(2S)-1-[(2S)-3-methyl-2-(methylamino)butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide |
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| Synonym | More Synonyms |
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Cemadotin BiologicalActivity
| Description | Cemadotin (LU103793) is an analogue of Dolastatin 15 (HY-P1126) which is naturally occurring cytotoxic peptides. Cemadotin blocks cells at mitosis, and exhibits Ki value of 1 μM for inhibiting tubulin. Cemadotin can be used to research anticancer[1]. |
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| Related Catalog | Research Areas >>CancerSignaling Pathways >>Cell Cycle/DNA Damage >>Microtubule/TubulinSignaling Pathways >>Cytoskeleton >>Microtubule/Tubulin |
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| Target | Ki: 1 μM (tubulin)[1] |
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| In Vitro | Cemadotin (0-100 μM; 35 min) inhibits polymerization dose-dependently in Tubulin-treated Strongylocentrotus purpuratus[1]. Cemadotin (0-1000 nM) preferentially suppresses the rate and extent of growing excursions of tubulin, and suppression is dependent upon the drug concentration[1]. Cemadotin (0-1 μM) markedly increases the rescue frequency but had little effect on the catastrophe frequency[1]. Cemadotin (400 pM~300 nM; 72 h) inhibits cancer cells HEK 293, F9 and HL60[2]. Cell Proliferation Assay[2] Cell Line: HEK 293, F9 and HL60 Concentration: 400 pM~300 nM Incubation Time: 72 h Result: Exhibited cytotoxicity against HEK 293, F9 and HL60 with IC50s of 0.7 nM, 14.8 nM and 0.5 nM, respectively. |
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Chemical & Physical Properties
| Density | 1.138g/cm3 |
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| Boiling Point | 857.7ºC at 760mmHg |
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| Molecular Formula | C35H56N6O5 |
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| Molecular Weight | 640.85600 |
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| Flash Point | 472.5ºC |
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| Exact Mass | 640.43100 |
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| PSA | 122.37000 |
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| LogP | 3.15240 |
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| Vapour Pressure | 0mmHg at 25°C |
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| Index of Refraction | 1.545 |
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| InChIKey | XSAKVDNHFRWJKS-IIZANFQQSA-N |
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| SMILES | CC(C)C(NC(=O)C(C(C)C)N(C)C)C(=O)N(C)C(C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NCc1ccccc1)C(C)C |
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Synonyms
| UNII-6SQ8M7ZSFV |
| N,N-Dimethyl-L-valyl-L-valyl-N-methyl-L-valyl-L-prolyl-N-benzyl-L-prolinamide |
| Cemadotin |
| N,N-dimethyl-L-valyl-L-valyl-N-methyl-L-valyl-L-prolyl-N-(phenylmethyl)-L-prolinamide |
| L-Prolinamide,N,N-dimethyl-L-valyl-L-valyl-N-methyl-L-valyl-L-prolyl-N-(phenylmethyl) |
