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LDCA

CAT: 0804-HY-147361-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-147361-04Size:25 mg
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Description
LDCA is a dual-hit metabolic modulator and inhibits LDH-A enzyme activity to stimulate apoptosis in the malignant population. LDCA can be used for the research of oncogenic progression[1].
CAS Number
349106-80-5
UNSPSC
12352005
Hazard Statement
H302-H314
Target
Apoptosis; Lactate Dehydrogenase
Type
Reference compound
Related Pathways
Apoptosis; Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ldca.html
Purity
99.18
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
FC1=C(Cl)C=C(NC(C(Cl)Cl)=O)C=C1
Molecular Formula
C8H5Cl3FNO
Molecular Weight
256.49
Precautions
P260-P264-P270-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P330-P363-P405-P501
References & Citations
[1]Saha, Suchandrima, et al. The dual-hit metabolic modulator LDCA synergistically potentiates doxorubicin to selectively combat cancer-associated hallmarks. RSC Advances, 7 (84), 53322–53333. doi:10.1039/c7ra08625c.
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

2,2-dichloro-N-(3-chloro-4-fluorophenyl)acetamide
CAS Number349106-80-5
PubChem CID4322881
IUPAC Name2,2-dichloro-N-(3-chloro-4-fluorophenyl)acetamide
Molecular FormulaC8H5Cl3FNO
Molecular Weight256.5
XLogP3.5
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity215
SMILES
C1=CC(=C(C=C1NC(=O)C(Cl)Cl)Cl)F
InChI
InChI=1S/C8H5Cl3FNO/c9-5-3-4(1-2-6(5)12)13-8(14)7(10)11/h1-3,7H,(H,13,14)
InChIKey
WZVDWCGCAQYINC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2-dichloro-N-(3-chloro-4-fluorophenyl)acetamide
CAS: 349106-80-5
CID: 4322881
Formula: C8H5Cl3FNO
MW: 256.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.5
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass254.942075
Monoisotopic Mass254.942075
Topological Polar Surface Area29.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity215
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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