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Nutlin-3a

CAT: 0013-GTR19161037-05Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19161037-05Size:5 mg
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Description
The active enantiomer of Nutlin-3, inhibits the p53/MDM2 interaction with IC50 of 90 nM in a cell-free assay; blocks the binding of Mdm2 to key signaling molecules such as p53 and p73α and can result in activation of cell death signaling pathways.
CAS Number
675576-98-4
Product Name Alternative
Nutlin 3a
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
CC (C) OC1=C (C=CC (=C1) OC) C2=N[C@H] ([C@H] (N2C (=O) N3CCNC (=O) C3) C4=CC=C (C=C4) Cl) C5=CC=C (C=C5) Cl
Molecular Formula
C30H30Cl2N4O4
Molecular Weight
581.4896
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2-Piperazinone, 4-[[ (4S,5R) -4,5-bis (4-chlorophenyl) -4,5-dihydro-2-[4-methoxy-2- (1-methylethoxy) phenyl]-1H-imidazol-1-yl]carbonyl]-

Chemical Information

Nutlin 3

4-[[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazol-1-yl]-oxomethyl]-2-piperazinone is a stilbenoid.

CAS Number675576-98-4
PubChem CID11433190
IUPAC Name4-[(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
Molecular FormulaC30H30Cl2N4O4
Molecular Weight581.5
XLogP5.2
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count40
Formal Charge0
Complexity919
SMILES
CC(C)OC1=C(C=CC(=C1)OC)C2=N[C@H]([C@H](N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C30H30Cl2N4O4/c1-18(2)40-25-16-23(39-3)12-13-24(25)29-34-27(19-4-8-21(31)9-5-19)28(20-6-10-22(32)11-7-20)36(29)30(38)35-15-14-33-26(37)17-35/h4-13,16,18,27-28H,14-15,17H2,1-3H3,(H,33,37)/t27-,28+/m0/s1
InChIKey
BDUHCSBCVGXTJM-WUFINQPMSA-N
Chemical Structure
2D Structure
2D structure of Nutlin 3
CAS: 675576-98-4
CID: 11433190
Formula: C30H30Cl2N4O4
MW: 581.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight581.5
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass580.1644108
Monoisotopic Mass580.1644108
Topological Polar Surface Area83.5 Ų
Heavy Atom Count40
Formal Charge0
Complexity919
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS385839-01Nutlin 3a
MBS132120-01Nutlin-3a
A3671-5.1Nutlin-3a chiral
A11501-50Nutlin 3a 50mg
A11501-25Nutlin 3a 25mg
HY-10029RNutlin-3a (Standard)
A11501-100Nutlin 3a 100mg
A11501-10Nutlin 3a 10mg
A11501-2Nutlin 3a 2mg
A11501-1Nutlin 3a 1mg

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