Chemical Formula: | C21H25N5O4S |
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Molecular Weight: | 443.52 |
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Synonyms: | ((1S,2S,4R)-4-(4-(((S)-2,3-dihydro-1H-inden-1-yl)amino)-7H-pyrrolo[2,3-d]pyriMidin-7-yl)-2-hydroxycyclopentyl)Methyl sulfaMate; [(1S,2S,4R)-4-(4-{[(1S)-2,3-dihydro-1H-inden-1-yl]amino}-7H-pyrrolo[2,3-d]pyriMidin-7-yl)-2-hydroxycyclopentyl]Methyl sulfaMate; Pevonedistat; MLN4924 (Pevonedistat); Sulfamic acid [(1S,2S,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7H-pyrrolo[2,3-d]pyrimi; MLN 4924; Sulfamic acid [(1S,2S,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxycyclopentyl]methyl ester |
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MDL No.: | MFCD17215201 |
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EINECS / EC No.: | N/A |
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Pubchem CID: | 16720766 |
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IUPAC Name: | [(1S,2S,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxycyclopentyl]methyl sulfamate |
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Standard InchI: | InChI=1S/C21H25N5O4S/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25)/t14-,15+,18-,19-/m0/s1 |
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InchI Key: | MPUQHZXIXSTTDU-QXGSTGNESA-N |
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SMILES: | C1CC2=CC=CC=C2C1NC3=C4C=CN(C4=NC=N3)C5CC(C(C5)O)COS(=O)(=O)N |
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Appearance: | White Solid |
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Melting Point: | 161-163 °C |
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Boiling Point: | 721.0±70.0 °C at 760 mmHg |
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Density (Theoretical): | 1.62 |
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