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(±)-Nutlin-3

CAT: 0607-B6058-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B6058-50Size:50 mg
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Description
MDM2 antagonist, potent and selective
CAS Number
548472-68-0
Product Name Alternative
4-(4,5-bis(4-chlorophenyl)-2-(2-isopropoxy-4-methoxyphenyl)-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-2-one
Field of Research
Apoptosis MDM2
Purity
0.9845
Form
A crystalline solid
Solubility
≥50.1 mg/mL in DMSO; ≥50.7 mg/mL in EtOH; insoluble in H2O
Smiles
ClC1=CC=C(C=C1)C2N(C(N(C3)CCNC3=O)=O)C(C(C=CC(OC)=C4)=C4OC(C)C)=NC2C(C=C5)=CC=C5Cl
Molecular Formula
C30H30Cl2N4O4
Molecular Weight
581.49
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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 Number548472-68-0
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: 548472-68-0
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
T2158-01Nutlin-3
TRC-N925535-10MG(+/-)-Nutlin-3
sc-222085A(+) -Nutlin-3
sc-222086A(–) -Nutlin-3

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