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Thiorphan

CAT: 0931-T7693-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T7693-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76721-89-6
Target
Neprilysin
Related Pathways
Metabolism
Purity
0.9991
Bioactivity
Thiorphan is an neprilysin inhibitor (NEP; IC50 : 0.007 μM) .
Smiles
OC(=O)CNC(=O)C(CS)Cc1ccccc1
Molecular Formula
C12H15NO3S
Molecular Weight
253.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

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Alternative Products

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

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