Products for Research Use Only
RegisterLogin

2S,4R-Sacubitril

CAT: 0804-HY-Z0081Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-Z0081Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
2S,4R-Sacubitril is the impurity of Sacubitril. Sacubitril is approved by the Food and agent Administration for use in combination with valsartan for the treatment of patients with heart failure.
CAS Number
2307668-79-5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/2S,4R-Sacubitril.html
Purity
99.12
Solubility
10 mM in DMSO
Smiles
[H]N(C(CC(C)C(O)=O)=O)[C@H](CC(C=C1)=CC=C1C2=CC=CC=C2)C[C@@H](C)C(OCC)=O
Molecular Formula
C25H31NO5
Molecular Weight
425.52
Precautions
H302, H315, H319, H335
References & Citations
[1]Shi J, et al. Sacubitril Is Selectively Activated by Carboxylesterase 1 (CES1) in the Liver and the Activation Is Affected by CES1 Genetic Variation. Drug Metab Dispos. 2016 Apr;44 (4) :554-9.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2S,4R-Sacubitril
CAS Number2307668-79-5
PubChem CID132472234
IUPAC Name4-[[(2S,4R)-5-ethoxy-4-methyl-5-oxo-1-(4-phenylphenyl)pentan-2-yl]amino]-2-methyl-4-oxobutanoic acid
Molecular FormulaC25H31NO5
Molecular Weight425.5
XLogP4.3
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count31
Formal Charge0
Complexity578
SMILES
CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)CC(C)C(=O)O
InChI
InChI=1S/C25H31NO5/c1-4-31-25(30)18(3)14-22(26-23(27)15-17(2)24(28)29)16-19-10-12-21(13-11-19)20-8-6-5-7-9-20/h5-13,17-18,22H,4,14-16H2,1-3H3,(H,26,27)(H,28,29)/t17?,18-,22+/m1/s1
InChIKey
KEXUXKNARJSTMZ-CZCIXBEGSA-N
Chemical Structure
2D Structure
2D structure of 2S,4R-Sacubitril
CAS: 2307668-79-5
CID: 132472234
Formula: C25H31NO5
MW: 425.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass425.22022309
Monoisotopic Mass425.22022309
Topological Polar Surface Area92.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity578
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-78846-012R,4R-Sacubitril
HY-78841-01(2S,4S) -Sacubitril
HY-78841S(2S,4S) -Sacubitril-d4
HY-I0786(2S,4R) -Teneligliptin
HY-W422400Fluoroglutamine (2S,4R)
HY-150072A(2S,4R) -DS89002333
HY-15407-01Sacubitril
HY-W012537-01(2S,4R) -2-amino-4-hydroxypentanedioic acid
HY-W044620-01(2S,4R) -4-Fluoropyrrolidine-2-carboxylic acid
HY-15407B-01Sacubitril (sodium)

Alternative Products

CatalogName
T19113-012S,4R-Sacubitril
TRC-S080905-25MG(2S,4R)-Sacubitril
422077-01(2S,4R) -Sacubitril
MBS5756147(Z)2S,4R-Sacubitril
OR1038356-01(Z) 2S,4R-Sacubitril
BA7368-5.12R,4R-Sacubitril
RFB48048-01(2R,4R) -Sacubitril
TRC-S080910-10MG(2R,4R)-Sacubitril
MBS3845007-012R, 4R-Sacubitril
T19114-01(2S,4S) -Sacubitril

Popular Products