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Elismetrep

CAT: 0931-T27253-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T27253-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1400699-64-0
Target
TRP/TRPV Channel
Related Pathways
Membrane transporter/Ion channel
Purity
0.9993
Bioactivity
Elismetrep (MT-8554) is an orally available TRPM8 inhibitor with potential analgesic activity for the study of vasomotor symptoms in postmenopausal women.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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