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Serdemetan

CAT: 0127-BUP09761-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP09761-02Size:10 mg
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CAS Number
881202-45-5
Synonyms
JNJ-26854165
Purity
=95%
Smiles
C(Cc1c[nH]c2ccccc12)Nc1ccc(Nc2ccncc2)cc1

Chemical Information

Serdemetan

Serdemetan is an orally bioavailable HDM2 antagonist with potential antineoplastic activity. Serdemetan inhibits the binding of the HDM2 protein to the transcriptional activation domain of the tumor suppressor protein p53. By preventing this HDM2-p53 interaction, the proteasome-mediated enzymatic degradation of p53 is inhibited, which may result in the restoration of p53 signaling and thus the p53-mediated induction of tumor cell apoptosis. HDM2 (human homolog of double minute 2), a zinc finger protein, is a negative regulator of the p53 pathway; often overexpressed in cancer cells, it has been implicated in cancer cell proliferation and survival.

CAS Number881202-45-5
PubChem CID11609586
IUPAC Name1-N-[2-(1H-indol-3-yl)ethyl]-4-N-pyridin-4-ylbenzene-1,4-diamine
Molecular FormulaC21H20N4
Molecular Weight328.4
XLogP4.6
Topological Polar Surface Area52.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity387
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4
InChI
InChI=1S/C21H20N4/c1-2-4-21-20(3-1)16(15-24-21)9-14-23-17-5-7-18(8-6-17)25-19-10-12-22-13-11-19/h1-8,10-13,15,23-24H,9,14H2,(H,22,25)
InChIKey
CEGSUKYESLWKJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Serdemetan
CAS: 881202-45-5
CID: 11609586
Formula: C21H20N4
MW: 328.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP34.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass328.16879665
Monoisotopic Mass328.16879665
Topological Polar Surface Area52.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity387
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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T2243-01Serdemetan
A4204-100JNJ-26854165 (Serdemetan)
C16160-100mgSerdemetan (JNJ-26854165)

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