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Elismetrep

CAT: 0013-GTR19197696-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197696-02Size:5 mg
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Description
Elismetrep (MT-8554) is a potent and orally bioavailable TRPM8 channel antagonist. It is utilized in preclinical research to investigate mechanisms of pain and thermoregulation, with studies exploring its potential for alleviating conditions like menopausal hot flashes in vivo.
CAS Number
1400699-64-0
Product Name Alternative
MT 8554, MT8554, MT-8554, Elismetrep, TRPVChannel, TRPV Channel, TRP Channel, TRPM8, TRPChannel
Field of Research
Pharmacology & Drug Discovery
Purity
99.37% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:3.3 mg/mL (6.08 mM) ; DMSO:80 mg/mL (147.46 mM)
Smiles
O=C (O) C1=CC=C (C=C1) S (=O) (=O) N (C=2N=CC3=CC=CC=C3C2C4CC4) CC5=CC=C (OC (F) (F) F) C=C5
Molecular Formula
C27H21F3N2O5S
Molecular Weight
542.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Elismetrep

Elismetrep is under investigation in clinical trial NCT02429102 (A Study to Investigate the Safety, Tolerability and Pharmacokinetics of MT-8554 in Healthy Subjects).

CAS Number1400699-64-0
PubChem CID66548125
IUPAC Name4-[(4-cyclopropylisoquinolin-3-yl)-[[4-(trifluoromethoxy)phenyl]methyl]sulfamoyl]benzoic acid
Molecular FormulaC27H21F3N2O5S
Molecular Weight542.5
XLogP6.3
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity922
SMILES
C1CC1C2=C(N=CC3=CC=CC=C32)N(CC4=CC=C(C=C4)OC(F)(F)F)S(=O)(=O)C5=CC=C(C=C5)C(=O)O
InChI
InChI=1S/C27H21F3N2O5S/c28-27(29,30)37-21-11-5-17(6-12-21)16-32(38(35,36)22-13-9-19(10-14-22)26(33)34)25-24(18-7-8-18)23-4-2-1-3-20(23)15-31-25/h1-6,9-15,18H,7-8,16H2,(H,33,34)
InChIKey
CWEFDWIKLABKBX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Elismetrep
CAS: 1400699-64-0
CID: 66548125
Formula: C27H21F3N2O5S
MW: 542.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.5
XLogP36.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass542.11232743
Monoisotopic Mass542.11232743
Topological Polar Surface Area105 Ų
Heavy Atom Count38
Formal Charge0
Complexity922
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

Alternative Products

CatalogName
MBS5776970Elismetrep

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