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116-9e

CAT: 0013-GTR19198917-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198917-02Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
This small molecule inhibitor targets the Hsp70 co-chaperone DNAJA1, demonstrating antiviral activity by suppressing SV40 replication and TAg functions. It serves as a valuable research tool for investigating viral oncology mechanisms and Hsp70-related pathways in cancer drug resistance, with utility in both in vitro and cell-based assays.
CAS Number
831217-43-7
Product Name Alternative
116 9e, 1169e, 116-9e, MAL2 11B, MAL211B, MAL-2-11B, MAL2-11B, MAL 2 11B, Virus Protease, VirusProtease
Field of Research
Cell Biology, Infectious Disease & Virology, Metabolism Research, Molecular Biology, Signal Transduction
Purity
99.55% (May vary between batches)
Solubility
DMSO:80 mg/mL (156.07 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (6.44 mM)
Smiles
C (OCC1=CC=CC=C1) (=O) C=2C (NC (=O) N (CCCCCC (O) =O) C2C) C3=CC=C (C=C3) C4=CC=CC=C4
Molecular Formula
C31H32N2O5
Molecular Weight
512.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-[4-Methyl-2-oxo-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]hexanoic acid
CAS Number831217-43-7
PubChem CID5461634
IUPAC Name6-[4-methyl-2-oxo-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]hexanoic acid
Molecular FormulaC31H32N2O5
Molecular Weight512.6
XLogP4.9
Topological Polar Surface Area95.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count38
Formal Charge0
Complexity835
SMILES
CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C31H32N2O5/c1-22-28(30(36)38-21-23-11-5-2-6-12-23)29(32-31(37)33(22)20-10-4-9-15-27(34)35)26-18-16-25(17-19-26)24-13-7-3-8-14-24/h2-3,5-8,11-14,16-19,29H,4,9-10,15,20-21H2,1H3,(H,32,37)(H,34,35)
InChIKey
GHFQWLNXJMUCGC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-[4-Methyl-2-oxo-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]hexanoic acid
CAS: 831217-43-7
CID: 5461634
Formula: C31H32N2O5
MW: 512.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.6
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass512.23112213
Monoisotopic Mass512.23112213
Topological Polar Surface Area95.9 Ų
Heavy Atom Count38
Formal Charge0
Complexity835
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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