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Nutlin-1

CAT: 0013-GTR19210811-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210811-02Size:50 mg
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Description
Nutlin-1 is a small molecule research compound that acts as an MDM2-p53 interaction inhibitor, reactivating p53 tumor suppressor pathways. It is also a known substrate for P-glycoprotein (P-gp) efflux pumps. This agent has demonstrated antitumor activity in both cellular assays and in vivo cancer models.
CAS Number
548472-58-8
Field of Research
Cell Biology
Smiles
C (=O) (N1[C@H] ([C@H] (N=C1C2=C (OC (C) C) C=C (OC) C=C2) C3=CC=C (Cl) C=C3) C4=CC=C (Cl) C=C4) N5CCN (C (C) =O) CC5
Molecular Formula
C32H34Cl2N4O4
Molecular Weight
609.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nutlin-1
CAS Number548472-58-8
PubChem CID24764418
IUPAC Name1-[4-[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]ethanone
Molecular FormulaC32H34Cl2N4O4
Molecular Weight609.5
XLogP5.4
Topological Polar Surface Area74.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count42
Formal Charge0
Complexity958
SMILES
CC(C)OC1=C(C=CC(=C1)OC)C2=N[C@@H]([C@@H](N2C(=O)N3CCN(CC3)C(=O)C)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C32H34Cl2N4O4/c1-20(2)42-28-19-26(41-4)13-14-27(28)31-35-29(22-5-9-24(33)10-6-22)30(23-7-11-25(34)12-8-23)38(31)32(40)37-17-15-36(16-18-37)21(3)39/h5-14,19-20,29-30H,15-18H2,1-4H3/t29-,30+/m1/s1
InChIKey
IYDMGGPKSVWQRT-IHLOFXLRSA-N
Chemical Structure
2D Structure
2D structure of Nutlin-1
CAS: 548472-58-8
CID: 24764418
Formula: C32H34Cl2N4O4
MW: 609.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight609.5
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass608.1957110
Monoisotopic Mass608.1957110
Topological Polar Surface Area74.7 Ų
Heavy Atom Count42
Formal Charge0
Complexity958
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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