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DCEM1

CAT: 0804-HY-171616-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-171616-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DCEM1 binds to heat shock protein 60 (HSP60) and inhibits the interaction of HSP60 with ClpP, thereby blocking the mitochondrial unfolded protein response. DCEM1 inhibits β-catenin expression and ATP production in PC-3 and TKO cells. DCEM1 can be used in prostate cancer research[1][2].
CAS Number
878949-21-4
UNSPSC
12352005
Target
HSP; β-catenin
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease; Stem Cell/Wnt
Applications
Cancer-programmed cell death
Field of Research
Cancer
Purity
99.31
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CCOC1=CC(CNCC2=NC3=C(N2)C=CC=C3)=CC=C1OCC4=CC=CS4
Molecular Formula
C22H23N3O2S
Molecular Weight
393.50
References & Citations
[1]Dhyan C, et al. Methods for disrupting mitochondrial unfolded protein response. WO2022103897. WIPO (PCT) . 2021-11-10.|[2]Woytash JA, et al. Mitochondrial unfolded protein response-dependent β-catenin signaling promotes neuroendocrine prostate cancer. Oncogene. 2025 Apr;44 (12) :820-834.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

[(1h-1,3-Benzodiazol-2-yl)methyl]({3-ethoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)amine
CAS Number878949-21-4
PubChem CID9113063
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-1-[3-ethoxy-4-(thiophen-2-ylmethoxy)phenyl]methanamine
Molecular FormulaC22H23N3O2S
Molecular Weight393.5
XLogP3.9
Topological Polar Surface Area87.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity469
SMILES
CCOC1=C(C=CC(=C1)CNCC2=NC3=CC=CC=C3N2)OCC4=CC=CS4
InChI
InChI=1S/C22H23N3O2S/c1-2-26-21-12-16(9-10-20(21)27-15-17-6-5-11-28-17)13-23-14-22-24-18-7-3-4-8-19(18)25-22/h3-12,23H,2,13-15H2,1H3,(H,24,25)
InChIKey
WPKVLNVHJJPTEZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [(1h-1,3-Benzodiazol-2-yl)methyl]({3-ethoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)amine
CAS: 878949-21-4
CID: 9113063
Formula: C22H23N3O2S
MW: 393.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.5
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass393.15109816
Monoisotopic Mass393.15109816
Topological Polar Surface Area87.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity469
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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