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MFN2 agonist-1

CAT: 0804-HY-123985-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-123985-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MFN2 agonist-1 (B-A/l) potently stimulates mitochondrial fusion in mitofusin 2 (MFN2) -deficient cells. MFN2 agonist-1 reverses mitochondrial “clumping” (formation of static mitochondrial aggregates) and restores mitochondrial motility in cultured mouse neurons expressing the CMT2A mutant MFN2 T105M.
CAS Number
2230047-87-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Mitochondrial Metabolism
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/mfn2-agonist-1.html
Purity
99.28
Solubility
DMSO : 50 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(NC1C(C)CCCC1)NCCSC2=NN=C(C3CC3)N2C4=CC=CC=C4
Molecular Formula
C21H29N5OS
Molecular Weight
399.55
Precautions
H302, H315, H319, H335
References & Citations
[1]Rocha AG, et al. MFN2 agonists reverse mitochondrial defects in preclinical models of Charcot-Marie-Tooth disease type 2A. Science. 2018 Apr 20;360 (6386) :336-341.
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

3-{2-[(5-cyclopropyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-1-(2-methylcyclohexyl)urea
CAS Number2230047-87-5
PubChem CID134817254
IUPAC Name1-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-3-(2-methylcyclohexyl)urea
Molecular FormulaC21H29N5OS
Molecular Weight399.6
XLogP3.9
Topological Polar Surface Area97.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity511
SMILES
CC1CCCCC1NC(=O)NCCSC2=NN=C(N2C3=CC=CC=C3)C4CC4
InChI
InChI=1S/C21H29N5OS/c1-15-7-5-6-10-18(15)23-20(27)22-13-14-28-21-25-24-19(16-11-12-16)26(21)17-8-3-2-4-9-17/h2-4,8-9,15-16,18H,5-7,10-14H2,1H3,(H2,22,23,27)
InChIKey
IDILCELZAIAPSY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-{2-[(5-cyclopropyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethyl}-1-(2-methylcyclohexyl)urea
CAS: 2230047-87-5
CID: 134817254
Formula: C21H29N5OS
MW: 399.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight399.6
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass399.20928174
Monoisotopic Mass399.20928174
Topological Polar Surface Area97.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity511
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes