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(E/Z) -E64FC26

CAT: 0804-HY-122895A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-122895A-01Size:5 mg
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Description
(E/Z) -E64FC26 is a mixture complex of E-E64FC26 and Z-E64FC26. E64FC26 (E-E64FC26) is a potent pan-inhibitor of the protein disulfide isomerase (PDI) family, with IC50s of 1.9, 20.9, 25.9, 16.3, and 25.4 μM against PDIA1, PDIA3, PDIA4, TXNDC5, and PDIA6. E64FC26 shows anti-myeloma activity[1][2].
CAS Number
2285446-67-3
UNSPSC
12352005
Target
Apoptosis; PDI
Type
Reference compound
Related Pathways
Apoptosis; Cell Cycle/DNA Damage; Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/e-z-e64fc26.html
Purity
99.80
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OC1=CC2=C(/C(C=C2C(F)(F)F)=C/CCCCCCCC)C=C1O
Molecular Formula
C19H23F3O2
Molecular Weight
340.38
References & Citations
[1]Nathan G. Dolloff, et al. Indene derivatives and uses thereof. US20190062298A1.|[2]Robinson RM, et al. Inhibitors of the protein disulfide isomerase family for the treatment of multiple myeloma. Leukemia. 2019 Apr;33 (4) :1011-1022.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(E/Z)-E64FC26
CAS Number2285446-67-3
PubChem CID137796284
IUPAC Name(1E)-1-nonylidene-3-(trifluoromethyl)indene-5,6-diol
Molecular FormulaC19H23F3O2
Molecular Weight340.4
XLogP6.5
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity468
SMILES
CCCCCCCC/C=C/1\C=C(C2=CC(=C(C=C21)O)O)C(F)(F)F
InChI
InChI=1S/C19H23F3O2/c1-2-3-4-5-6-7-8-9-13-10-16(19(20,21)22)15-12-18(24)17(23)11-14(13)15/h9-12,23-24H,2-8H2,1H3/b13-9+
InChIKey
OWYMWLCFHDHVAH-UKTHLTGXSA-N
Chemical Structure
2D Structure
2D structure of (E/Z)-E64FC26
CAS: 2285446-67-3
CID: 137796284
Formula: C19H23F3O2
MW: 340.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight340.4
XLogP36.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass340.16501446
Monoisotopic Mass340.16501446
Topological Polar Surface Area40.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity468
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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