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SMIP004

CAT: 0607-A3826-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A3826-50Size:50 mg
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Description
Apoptosis inducer
CAS Number
143360-00-3
Product Name Alternative
N-(4-butyl-2-methylphenyl)acetamide
Sequence
SMIP 004;SMIP-004
Field of Research
Apoptosis Apoptosis Inducers
Purity
0.9817
Form
A solid
Solubility
insoluble in H2O; ≥20.5 mg/mL in DMSO; ≥53.6 mg/mL in EtOH with ultrasonic
Smiles
CCCCC1=CC(=C(C=C1)NC(=O)C)C
Molecular Formula
C13H19NO
Molecular Weight
205.3
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

N-(4-butyl-2-methylphenyl)acetamide

SMIP004 is a member of the class of N-benzylacetamides that is benzene substituted by acetylnitrilo, methyl, and butyl groups at positions 1, 2 and 4, respectively. It is a SKP2 E3 ligase inhibitor and a selective apoptosis inducer of human prostate cancer cells. It has a role as an autophagy inducer, an anticoronaviral agent, an antidepressant, an antineoplastic agent, an apoptosis inducer and an EC 6.3.2.19 (ubiquitin--protein ligase) inhibitor. It is a member of toluenes, an alkylbenzene and a member of N-benzylacetamides.

CAS Number143360-00-3
PubChem CID2747581
IUPAC NameN-(4-butyl-2-methylphenyl)acetamide
Molecular FormulaC13H19NO
Molecular Weight205.30
XLogP3.1
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity203
SMILES
CCCCC1=CC(=C(C=C1)NC(=O)C)C
InChI
InChI=1S/C13H19NO/c1-4-5-6-12-7-8-13(10(2)9-12)14-11(3)15/h7-9H,4-6H2,1-3H3,(H,14,15)
InChIKey
ZFVMECVBUGMWIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-butyl-2-methylphenyl)acetamide
CAS: 143360-00-3
CID: 2747581
Formula: C13H19NO
MW: 205.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.30
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass205.146664230
Monoisotopic Mass205.146664230
Topological Polar Surface Area29.1 Ų
Heavy Atom Count15
Formal Charge0
Complexity203
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

CatalogName
GTR19174158-01SMIP004
A15240-25SMIP004 25mg
A15240-10SMIP004 10mg
A15240-5SMIP004 5mg
A15240-1SMIP004 1mg
A15240-100SMIP004 100mg
A15240-50SMIP004 50mg
A15240-2SMIP004 2mg
A15240-10mM-DSMIP004 10mM * 1mL in DMSO
217795SKP2 E3 Ligase Inhibitor II, SMIP004 (CRL1SKP2 Inhibitor II, p21/Cip1/CKI/Waf1 Activator II, N- (4-Butyl-2-methylphenyl) acetamide, p27/Kip1 Activator II, S-phase Kinase-associated Protein 2 Inhibitor II, SCFSKP2 Inhibitor II, Small Molecule Inhibitor of p27 Depletion 004)

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