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SPC-180002

CAT: 0013-GTR19218999-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218999-02Size:50 mg
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Description
SPC-180002 is a dual SIRT1/3 inhibitor (IC50: 1.13 μM and 5.41 μM, respectively) that disrupts redox homeostasis, induces mitochondrial dysfunction, and activates Nrf2 signaling. This compound is a useful research tool for studying cell cycle arrest, cancer proliferation, and oxidative stress responses in vitro.
CAS Number
2170274-53-8
Field of Research
Epigenetics & Chromatin, Immunology & Inflammation, Metabolism Research, Molecular Biology, Signal Transduction
Smiles
N (CC (C (OC) =O) =C) (CC (C (OC) =O) =C) CCC1=CC=CC=C1
Molecular Formula
C18H23NO4
Molecular Weight
317.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl 2-[[2-methoxycarbonylprop-2-enyl(2-phenylethyl)amino]methyl]prop-2-enoate
CAS Number2170274-53-8
PubChem CID168510595
IUPAC Namemethyl 2-[[2-methoxycarbonylprop-2-enyl(2-phenylethyl)amino]methyl]prop-2-enoate
Molecular FormulaC18H23NO4
Molecular Weight317.4
XLogP2.8
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count23
Formal Charge0
Complexity408
SMILES
COC(=O)C(=C)CN(CCC1=CC=CC=C1)CC(=C)C(=O)OC
InChI
InChI=1S/C18H23NO4/c1-14(17(20)22-3)12-19(13-15(2)18(21)23-4)11-10-16-8-6-5-7-9-16/h5-9H,1-2,10-13H2,3-4H3
InChIKey
FHLFSJJWOMHMOR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-[[2-methoxycarbonylprop-2-enyl(2-phenylethyl)amino]methyl]prop-2-enoate
CAS: 2170274-53-8
CID: 168510595
Formula: C18H23NO4
MW: 317.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.4
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass317.16270821
Monoisotopic Mass317.16270821
Topological Polar Surface Area55.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity408
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

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