Trigriluzole

CAT: 1410-M13016-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No

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CAT#:1410-M13016-02Size:1 mL x 10 mM in DMSO

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Description

Trigriluzole (BHV-4157) is a novel glutamate modulator for the treatment of mild-to-moderate Alzheimer’s disease (AD) ; Trigriluzole is a third-generation prodrug and new chemical entity that modulates glutamate.

CAS Number

1926203-09-9

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

419.379

Molecular Formula

C15H16F3N5O4S

Notes

Research use only, not for human use.

Receptor

Glutamate Transporter

Chemical Information

Troriluzole

Troriluzole is under investigation in clinical trial NCT03701399 (Troriluzole in Adult Subjects With Spinocerebellar Ataxia).

CAS Number	1926203-09-9
PubChem CID	121488186
IUPAC Name	2-amino-N-[2-[methyl-[2-oxo-2-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]ethyl]amino]-2-oxoethyl]acetamide
Molecular Formula	C15H16F3N5O4S
Molecular Weight	419.4
XLogP	1
Topological Polar Surface Area	155
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Heavy Atom Count	28
Formal Charge	0
Complexity	595

SMILES

CN(CC(=O)NC1=NC2=C(S1)C=C(C=C2)OC(F)(F)F)C(=O)CNC(=O)CN

InChI

InChI=1S/C15H16F3N5O4S/c1-23(13(26)6-20-11(24)5-19)7-12(25)22-14-21-9-3-2-8(4-10(9)28-14)27-15(16,17)18/h2-4H,5-7,19H2,1H3,(H,20,24)(H,21,22,25)

InChIKey

YBZSGIWIPOUSHY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1926203-09-9

CID: 121488186

Formula: C15H16F3N5O4S

MW: 419.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	419.4
XLogP3	1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	7
Exact Mass	419.08750967
Monoisotopic Mass	419.08750967
Topological Polar Surface Area	155 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	595
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS3603016-01	Trigriluzole

Trigriluzole

Chemical Information

Alternative Products

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