MLN4924

CAT: 0013-GTR19171947-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19171947-01Size:1 mg

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Description

Pevonedistat (MLN4924) is a selective NEDD8-activating enzyme (NAE) inhibitor with an IC50 of 4.7 nM. It exhibits antitumor activity and has been investigated for treating myelodysplastic syndromes (MDS) in clinical research, supported by studies demonstrating its efficacy in both in vitro and in vivo cancer models.

CAS Number

905579-51-3

Product Name Alternative

Pevonedistat

Field of Research

Cell Biology, Molecular Biology, Neuroscience, Protein Biochemistry

Purity

>98%

Bioactivity

Nedd8 activating enzyme inhibitor

Form

Lyophilized

Solubility

Soluble in DMSO (up to 10 mg/ml) .

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

Molecular Formula

C21H25N5O4S

Molecular Weight

443.53

Storage Conditions

-20°C

Notes

For research use only.

Other Product Names

((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

Chemical Information

Pevonedistat

Pevonedistat is a pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine which is substituted by a (1S)-2,3-dihydro-1H-inden-1-ylnitrilo group at position 4 and by a (1S,3S,4S)-3-hydroxy-4-[(sulfamoyloxy)methyl]cyclopentyl group at position 7. It is a potent and selective NEDD8-activating enzyme inhibitor with an IC50 of 4.7 nM, and currently under clinical investigation for the treatment of acute myeloid leukemia (AML) and myelodysplastic syndromes. It has a role as an antineoplastic agent and an apoptosis inducer. It is a member of cyclopentanols, a pyrrolopyrimidine, a member of indanes, a secondary amino compound and a sulfamidate.

CAS Number	905579-51-3
PubChem CID	16720766
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
Molecular Formula	C21H25N5O4S
Molecular Weight	443.5
XLogP	1.7
Topological Polar Surface Area	141
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	31
Formal Charge	0
Complexity	734

SMILES

C1CC2=CC=CC=C2[C@H]1NC3=C4C=CN(C4=NC=N3)[C@@H]5C[C@H]([C@H](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

Chemical Structure

2D Structure

CAS: 905579-51-3

CID: 16720766

Formula: C21H25N5O4S

MW: 443.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	443.5
XLogP3	1.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	443.16272547
Monoisotopic Mass	443.16272547
Topological Polar Surface Area	141 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	734
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
B1036-5	MLN4924
A11260-5	MLN4924 5mg
C12449-10mM/1mL	Pevonedistat (MLN4924)
MBS386675-01	MLN4924 (Pevonedistat)
A11260-50	MLN4924 50mg
A11260-25	MLN4924 25mg
A11260-10	MLN4924 10mg
A3629-100	MLN4924 HCl salt

MLN4924

Chemical Information

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