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Emixustat (hydrochloride)

CAT: 0804-HY-19720A-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-19720A-01Size:2 mg
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Description
Emixustat (ACU-4429) hydrochloride is an orally active RPE65 inhibitor with an IC50 value of 4.4 nM. Emixustat hydrochloride is also a visual cycle modulator, capable of regulating visual cycle activity by inhibiting retinol isomerization, and holds potential for studying vision disorders such as age-related macular degeneration (AMD) [1][2][3][4].
CAS Number
1141934-97-5
Product Name Alternative
ACU-4429 hydrochloride
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/Emixustat-hydrochloride.html
Purity
99.29
Solubility
DMSO : 44 mg/mL (ultrasonic; warming)
Smiles
O[C@H](CCN)C1=CC(OCC2CCCCC2)=CC=C1.[H]Cl
Molecular Formula
C16H26ClNO2
Molecular Weight
299.84
Precautions
H302, H315, H319, H335
References & Citations
[1]Kiser PD, et al. Catalytic mechanism of a retinoid isomerase essential for vertebrate vision. Nat Chem Biol. 2015 Jun;11 (6) :409-15.|[2]Kubota R, et al. Phase 1, dose-ranging study of emixustat hydrochloride (ACU-4429), a novel visual cycle modulator, in healthy volunteers. Retina. 2014 Mar;34 (3) :603-9.|[3]Kubota R, et al. Emixustat Reduces Metabolic Demand of Dark Activity in the Retina. Invest Ophthalmol Vis Sci. 2019 Nov 1;60 (14) :4924-4930.|[4]Bavik C, et al. Visual Cycle Modulation as an Approach toward Preservation of Retinal Integrity. PLoS One. 2015 May 13;10 (5) :e0124940.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Phase 3

Chemical Information

Emixustat Hydrochloride

See also: Emixustat (has active moiety).

CAS Number1141934-97-5
PubChem CID60162270
IUPAC Name(1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol;hydrochloride
Molecular FormulaC16H26ClNO2
Molecular Weight299.83
Topological Polar Surface Area55.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity241
SMILES
C1CCC(CC1)COC2=CC=CC(=C2)[C@@H](CCN)O.Cl
InChI
InChI=1S/C16H25NO2.ClH/c17-10-9-16(18)14-7-4-8-15(11-14)19-12-13-5-2-1-3-6-13;/h4,7-8,11,13,16,18H,1-3,5-6,9-10,12,17H2;1H/t16-;/m1./s1
InChIKey
BPZWRYOUJMDQSY-PKLMIRHRSA-N
Chemical Structure
2D Structure
2D structure of Emixustat Hydrochloride
CAS: 1141934-97-5
CID: 60162270
Formula: C16H26ClNO2
MW: 299.83
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.83
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass299.1652068
Monoisotopic Mass299.1652068
Topological Polar Surface Area55.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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CatalogName
T11188L-01Emixustat hydrochloride
TRC-B224873-1Grac-Emixustat Hydrochloride Salt
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319694Emixustat HCl
A12336-2Emixustat 2mg
A12336-10Emixustat 10mg
A12336-5Emixustat 5mg
A12336-100Emixustat 100mg
A12336-50Emixustat 50mg
A12336-25Emixustat 25mg

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