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Thiorphan

CAT: 1410-M20987-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M20987-01Size:2 mg
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Description
Thiorphan is an neprilysin inhibitor (NEP; IC50 : 0.007 µM) .
CAS Number
76721-89-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
253.32
Molecular Formula
C12H15NO3S
Notes
Research use only, not for human use.
Receptor
Neprilysin

Chemical Information

Thiorphan

Thiorphan is a N-acyl-amino acid.

CAS Number76721-89-6
PubChem CID3132
IUPAC Name2-[(2-benzyl-3-sulfanylpropanoyl)amino]acetic acid
Molecular FormulaC12H15NO3S
Molecular Weight253.32
XLogP1.3
Topological Polar Surface Area67.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count17
Formal Charge0
Complexity264
SMILES
C1=CC=C(C=C1)CC(CS)C(=O)NCC(=O)O
InChI
InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)
InChIKey
LJJKNPQAGWVLDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiorphan
CAS: 76721-89-6
CID: 3132
Formula: C12H15NO3S
MW: 253.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight253.32
XLogP31.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass253.07726451
Monoisotopic Mass253.07726451
Topological Polar Surface Area67.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity264
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-W013375-01Thiorphan
4010438.0100DL-Thiorphan
CS-O-07004Thiorphan-d7
sc-201287AThiorphan (DL)
GTR19268382-01Thiorphan-CoA
AR-T01883-01Thiorphan-methoxyacetophenone
TRC-T369505-250MGThiorphan Disulfide

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