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TRPM8 antagonist 2

CAT: 0804-HY-112430-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112430-01Size:5 mg
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Description
TRPM8 antagonist 2 is a potent and selective TRPM8 antagonist, with an IC50 of 0.2 nM, used in the research of neuropathic pain syndromes.
CAS Number
259674-19-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
TRP Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/TRPM8_Antagonist.html
Purity
98.01
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C([C@@H](N(CC1=CC=CC=C1)CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43)OC
Molecular Formula
C26H26N2O2
Molecular Weight
398.50
Precautions
H302, H315, H319, H335
References & Citations
[1]Bertamino A, et al. Identification of a Potent Tryptophan-Based TRPM8 Antagonist With in Vivo Analgesic Activity. J Med Chem. 2018 Jul 10. doi: 10.1021/acs.jmedchem.8b00545.
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

TRPM8 antagonist 2
CAS Number259674-19-6
PubChem CID57055437
IUPAC Namemethyl (2S)-2-(dibenzylamino)-3-(1H-indol-3-yl)propanoate
Molecular FormulaC26H26N2O2
Molecular Weight398.5
XLogP5.5
Topological Polar Surface Area45.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity507
SMILES
COC(=O)[C@H](CC1=CNC2=CC=CC=C21)N(CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C26H26N2O2/c1-30-26(29)25(16-22-17-27-24-15-9-8-14-23(22)24)28(18-20-10-4-2-5-11-20)19-21-12-6-3-7-13-21/h2-15,17,25,27H,16,18-19H2,1H3/t25-/m0/s1
InChIKey
HHVOOJDLCVOLKI-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of TRPM8 antagonist 2
CAS: 259674-19-6
CID: 57055437
Formula: C26H26N2O2
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass398.199428076
Monoisotopic Mass398.199428076
Topological Polar Surface Area45.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity507
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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