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Fezolinetant

CAT: 1410-M12438-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M12438-03Size:10 mg
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Description
A potent, selective, orally active neurokinin-3 receptor (NK3R) antagonist with pIC50/pKi of 7.7/7.6.
CAS Number
1629229-37-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
358.3954
Molecular Formula
C16H15FN6OS
Notes
Research use only, not for human use.
Receptor
Neurokinin Receptor

Chemical Information

((8R)-5,6-Dihydro-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1,2,4-triazolo(4,3-a)pyrazin-7(8H)-yl)(4-fluorophenyl)methanone

Fezolinetant is a triazolopyrazine that is 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine substituted by 3-methyl-1,2,4-thiadiazol-5-yl, 4-fluorobenzoyl and methyl groups at positions 3, 7, and 8R, respectively. It is a prescription medicine used to reduce moderate to severe vasomotor symptoms due to menopause. It has a role as a neurokinin-3 receptor antagonist. It is a tertiary carboxamide, a member of benzamides, a member of thiadiazoles, a triazolopyrazine and a member of monofluorobenzenes.

CAS Number1629229-37-3
PubChem CID117604931
IUPAC Name(4-fluorophenyl)-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
Molecular FormulaC16H15FN6OS
Molecular Weight358.4
XLogP1.6
Topological Polar Surface Area105
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity505
SMILES
C[C@@H]1C2=NN=C(N2CCN1C(=O)C3=CC=C(C=C3)F)C4=NC(=NS4)C
InChI
InChI=1S/C16H15FN6OS/c1-9-13-19-20-14(15-18-10(2)21-25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1
InChIKey
PPSNFPASKFYPMN-SECBINFHSA-N
Chemical Structure
2D Structure
2D structure of ((8R)-5,6-Dihydro-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-1,2,4-triazolo(4,3-a)pyrazin-7(8H)-yl)(4-fluorophenyl)methanone
CAS: 1629229-37-3
CID: 117604931
Formula: C16H15FN6OS
MW: 358.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.4
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass358.10120846
Monoisotopic Mass358.10120846
Topological Polar Surface Area105 Ų
Heavy Atom Count25
Formal Charge0
Complexity505
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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