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(E, E) -RAMB4

CAT: 0804-HY-128978Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-128978Size:1 Each
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Description
(E, E) -RAMB4 is a potent and selective potent protein tyrosine phosphatase-1B (PTP1B) inhibitor extracted from patent CN103626692A, example 1[1].
CAS Number
919091-61-5
UNSPSC
12352005
Target
Phosphatase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/ptp1b-in-8.html
Solubility
10 mM in DMSO
Smiles
O=C1/C(CNC/C1=C\C2=CC=C(Cl)C(Cl)=C2)=C/C3=CC=C(Cl)C(Cl)=C3
Molecular Formula
C19H13Cl4NO
Molecular Weight
413.12
References & Citations
[1]Jin, Yongsheng, et al. 3,5-diaryl-ylidene piperidone derivatives and application thereof in preparing blood glucose-reducing and fat-reducing medicine. CN103626692A.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3,5-Bis(3,4-dichlorobenzylidene)piperidin-4-one
CAS Number919091-61-5
PubChem CID5388806
IUPAC Name(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]piperidin-4-one
Molecular FormulaC19H13Cl4NO
Molecular Weight413.1
XLogP5.7
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity516
SMILES
C\1NC/C(=C\C2=CC(=C(C=C2)Cl)Cl)/C(=O)/C1=C/C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H13Cl4NO/c20-15-3-1-11(7-17(15)22)5-13-9-24-10-14(19(13)25)6-12-2-4-16(21)18(23)8-12/h1-8,24H,9-10H2/b13-5+,14-6+
InChIKey
GJPXGFGIFQWUOC-ACFHMISVSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Bis(3,4-dichlorobenzylidene)piperidin-4-one
CAS: 919091-61-5
CID: 5388806
Formula: C19H13Cl4NO
MW: 413.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.1
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass412.972175
Monoisotopic Mass410.975125
Topological Polar Surface Area29.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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