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Sch 47896

CAT: 0013-GTR19196657-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196657-01Size:25 mg
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Description
Sch 47896 is a selective small molecule inhibitor of neutral metalloendopeptidase (NEP; EC 3.4.24.11) . This compound is a valuable research tool for studying NEP's role in peptide hormone metabolism and cardiovascular function in both in vitro biochemical assays and in vivo pharmacological models.
CAS Number
142621-29-2
Field of Research
Signal Transduction
Smiles
C (NC (CCC1=CC=C (O) C=C1) C (O) =O) (CC2=CC=CC=C2) C (NCC (C (O) =O) O) =O
Molecular Formula
C22H26N2O7
Molecular Weight
430.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sch 47896

structure given in first source; an inhibitor of neutral metalloendopeptidase

CAS Number142621-29-2
PubChem CID5487484
IUPAC Name(2S)-2-[[(2S)-1-[[(1S)-2-carboxy-1-hydroxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-(4-hydroxyphenyl)butanoic acid
Molecular FormulaC22H26N2O7
Molecular Weight430.5
XLogP-0.6
Topological Polar Surface Area156
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count31
Formal Charge0
Complexity586
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)N[C@H](CC(=O)O)O)N[C@@H](CCC2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C22H26N2O7/c25-16-9-6-14(7-10-16)8-11-17(22(30)31)23-18(12-15-4-2-1-3-5-15)21(29)24-19(26)13-20(27)28/h1-7,9-10,17-19,23,25-26H,8,11-13H2,(H,24,29)(H,27,28)(H,30,31)/t17-,18-,19-/m0/s1
InChIKey
UCONTMFOVWAEKX-FHWLQOOXSA-N
Chemical Structure
2D Structure
2D structure of Sch 47896
CAS: 142621-29-2
CID: 5487484
Formula: C22H26N2O7
MW: 430.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.5
XLogP3-0.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass430.17400117
Monoisotopic Mass430.17400117
Topological Polar Surface Area156 Ų
Heavy Atom Count31
Formal Charge0
Complexity586
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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