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SORT1-IN-3

CAT: 0013-GTR19240475-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240475-02Size:50 mg
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Description
SORT1-IN-3 (compound 5) is a blood-brain barrier permeable inhibitor of Sortilin (SORT1) . This small molecule tool compound is utilized in neuroscience research to investigate Sortilin's role in neurodegenerative pathways, supporting both in vitro and in vivo experimental models.
CAS Number
2915675-56-6
Field of Research
Cell Biology
Smiles
C (N[C@@H] (CCC (C) (C) C) C (O) =O) C1=CC (OC) =CC=C1.Cl
Molecular Formula
C16H26ClNO3
Molecular Weight
315.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S)-2-[(3-methoxyphenyl)methylamino]-5,5-dimethylhexanoic acid;hydrochloride
CAS Number2915675-56-6
PubChem CID176419280
IUPAC Name(2S)-2-[(3-methoxyphenyl)methylamino]-5,5-dimethylhexanoic acid;hydrochloride
Molecular FormulaC16H26ClNO3
Molecular Weight315.83
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count21
Formal Charge0
Complexity299
SMILES
CC(C)(C)CC[C@@H](C(=O)O)NCC1=CC(=CC=C1)OC.Cl
InChI
InChI=1S/C16H25NO3.ClH/c1-16(2,3)9-8-14(15(18)19)17-11-12-6-5-7-13(10-12)20-4;/h5-7,10,14,17H,8-9,11H2,1-4H3,(H,18,19);1H/t14-;/m0./s1
InChIKey
FDRFBFOTLBDFMP-UQKRIMTDSA-N
Chemical Structure
2D Structure
2D structure of (2S)-2-[(3-methoxyphenyl)methylamino]-5,5-dimethylhexanoic acid;hydrochloride
CAS: 2915675-56-6
CID: 176419280
Formula: C16H26ClNO3
MW: 315.83
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.83
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass315.1601214
Monoisotopic Mass315.1601214
Topological Polar Surface Area58.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity299
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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