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ML175

CAT: 0804-HY-115674Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-115674Size:1 Each
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Description
ML175 is a specific glutathione transferase Omega 1-1 (GSTO1-1) inhibitor. ML175 can significantly activate Akt and MEK1/2 kinases. ML175 can be used in the research of diseases such as Parkinson's disease[1].
CAS Number
610263-01-9
UNSPSC
12352005
Target
Akt; Glutathione S-transferase; MEK
Related Pathways
MAPK/ERK Pathway; Metabolic Enzyme/Protease; PI3K/Akt/mTOR
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology; Neurological Disease
Smiles
O=C(NCCCN(C(CCl)=O)C1=CC=C([N+]([O-])=O)C=C1)C(F)(F)F
Molecular Formula
C13H13ClF3N3O4
Molecular Weight
367.71
References & Citations
[1]Saisawang C, et al. Glutathione transferase Omega 1-1 (GSTO1-1) modulates Akt and MEK1/2 signaling in human neuroblastoma cell SH-SY5Y. Proteins. 2019 Jul;87 (7) :588-595.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-[3-(N-(2-chloroacetyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamide

N-[3-(N-(2-chloro-1-oxoethyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamide is a secondary carboxamide, a tertiary carboxamide, a trifluoroacetamide and a C-nitro compound.

CAS Number610263-01-9
PubChem CID4257368
IUPAC NameN-[3-(N-(2-chloroacetyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamide
Molecular FormulaC13H13ClF3N3O4
Molecular Weight367.71
XLogP2.5
Topological Polar Surface Area95.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity462
SMILES
C1=CC(=CC=C1N(CCCNC(=O)C(F)(F)F)C(=O)CCl)[N+](=O)[O-]
InChI
InChI=1S/C13H13ClF3N3O4/c14-8-11(21)19(7-1-6-18-12(22)13(15,16)17)9-2-4-10(5-3-9)20(23)24/h2-5H,1,6-8H2,(H,18,22)
InChIKey
RPFLJHUKWQKWPO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-(N-(2-chloroacetyl)-4-nitroanilino)propyl]-2,2,2-trifluoroacetamide
CAS: 610263-01-9
CID: 4257368
Formula: C13H13ClF3N3O4
MW: 367.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight367.71
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass367.0546681
Monoisotopic Mass367.0546681
Topological Polar Surface Area95.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity462
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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