Pevonedistat | CAS No. 905579-51-3

Pevonedistat

Basic Information

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CAS Number

905579-51-3

Molecular Formula

C21H25N5O4S

Molecular Weight

443.53 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

161-163°C

Density

1.62

SMILES

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C1CC2=CC=CC=C2C1NC3=C4C=CN(C4=NC=N3)C5CC(C(C5)O)COS(=O)(=O)N

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

MPUQHZXIXSTTDU-QXGSTGNESA-N

LogP

2.0627999999999997

Topological Polar Surface Area

132.36 Å²

Hydrogen Bond Donor/Acceptor

4 / 9

Complexity

734

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

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
MLN4924
[(1S,2S,4R)-4-{4-[(1S)-2,3-Dihydro-1H-inden-1-ylamino]-7H-pyrrolo [2,3-d]pyrimidin-7-yl}-2-hydroxycyclopentyl]methyl sulfamate
MLN-4924
MLN4924 (MLN-4924,NEDD8-activating enzyme inhibitor )
Pevonedistat
MLN 4924
((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
S3AZD8D215
[(1s,2s,4r)-4-{4-[(1s)-2,3-Dihydro-1h-Inden-1-Ylamino]-7h-Pyrrolo[2,3-D]pyrimidin-7-Yl}-2-Hydroxycyclopentyl]methyl Sulfamate
C21H25N5O4S
Sulfamic acid [(1S,2S,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin
Pevonedistat;MLN4924
((1S,2S,4R)-4-(4-((1S)-2,3-dihydro-1H-inden-1-ylamino)-7H-pyrrolo(2,3-d)pyrimidin-7-yl)-2-hydroxycyclopentyl)methyl sulfamate
NSC793435
Pevonedistat; MLN4924
CS-0348
Pevonedistat (USAN)
Pevonedistat [USAN:INN]
Nedd8-Activating Enzyme Inhibitor MLN4924
BRD-K67844266-001-01-3
Pevonedistat (MLN-4924)
MLN-4924?
DTXSID701022549
NCGC00345794-09
NCGC00345794-10
TAK924
Z2739897698
UNII-S3AZD8D215
PEVONEDISTAT [INN]
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

MDL Number

MFCD17215201

FAQ

What regulatory guidelines apply to pevonedistat (CAS: 905579-51-3)?

Pevonedistat (CAS: 905579-51-3) falls under various regulatory guidelines such as REACH in Europe, which requires manufacturers and importers to register the chemical substance. In the U.S., FDA and EPA regulations also apply, particularly for its use in pharmaceuticals and environmental safety. It is important to comply with these regulations to ensure safe handling and use.

Are there alternatives to pevonedistat (CAS: 905579-51-3) in synthesis?

In the synthesis of pevonedistat (CAS: 905579-51-3), alternative reagents such as other protein inhibitors or similar small molecules can be used. However, these alternatives may not have the same efficacy or specific mechanisms as pevonedistat. Researchers often explore analogs and isomers to find more effective or less toxic alternatives.

What is the market or research trend for pevonedistat (CAS: 905579-51-3)?

The market for pevonedistat (CAS: 905579-51-3) is driven by its potential in cancer therapy, particularly in combination with other drugs. Research trends focus on understanding its mechanism of action and optimizing its use in clinical settings. Additionally, there is ongoing exploration of its role in treating other disease conditions.

How should waste containing pevonedistat (CAS: 905579-51-3) be handled?

Waste containing pevonedistat (CAS: 905579-51-3) should be collected in appropriate containers and handled according to local and international environmental protection regulations. Waste disposal should be done through professional waste disposal services to ensure the compound is safely incinerated or otherwise disposed of, minimizing environmental impact.