Pevonedistat

CAS Registry Number®

905579-51-3
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CAS Name

Pevonedistat

Molecular Formula

C21H25N5O4S

Molecular Mass

443.52

Cite this Page

Pevonedistat.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=905579-51-3 (retrieved 2024-04-28) (CAS RN: 905579-51-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    164-166 °C

Source(s)

Other Names and Identifiers

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

InChIKey

InChIKey=MPUQHZXIXSTTDU-QXGSTGNESA-N

SMILES

N(C1=C2C(N(C=C2)[C@@H]3C[C@@H](COS(N)(=O)=O)[C@@H](O)C3)=NC=N1)[C@@H]4C=5C(CC4)=CC=CC5

Canonical SMILES

O=S(=O)(OCC1CC(N2C=CC=3C(=NC=NC32)NC4C=5C=CC=CC5CC4)CC1O)N

Other Names for this Substance

  • 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
  • MLN 4924
  • Pevonedistat

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