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(Rac) -UK-414495

CAT: 0804-HY-123782Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-123782Size:1 Each
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Description
(Rac) -UK-414495 (example 7) is a potent neutral endopeptidase (NEP) inhibitor. (Rac) -UK-414495 causes potentiation of cAMP in the sexual genitalia of the female[1].
CAS Number
337962-93-3
UNSPSC
12352005
Target
Neprilysin
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/rac-uk-414495.html
Solubility
10 mM in DMSO
Smiles
CCCC(CC1(C(NC2=NN=C(CC)S2)=O)CCCC1)C(O)=O
Molecular Formula
C16H25N3O3S
Molecular Weight
339.45
References & Citations
[1]Graham NM, et, al. NEP inhibitors for the treatment of female sexual dysfunction. EP1481667A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(R)-2-((1-((5-ethyl-1,3,4-thiadiazol-2-yl) carbamoyl)cyclopentyl)methyl)valeric acid
CAS Number337962-93-3
PubChem CID9862743
IUPAC Name2-[[1-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]cyclopentyl]methyl]pentanoic acid
Molecular FormulaC16H25N3O3S
Molecular Weight339.5
XLogP3.4
Topological Polar Surface Area120
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity427
SMILES
CCCC(CC1(CCCC1)C(=O)NC2=NN=C(S2)CC)C(=O)O
InChI
InChI=1S/C16H25N3O3S/c1-3-7-11(13(20)21)10-16(8-5-6-9-16)14(22)17-15-19-18-12(4-2)23-15/h11H,3-10H2,1-2H3,(H,20,21)(H,17,19,22)
InChIKey
FWXXCSISWQQOGS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (R)-2-((1-((5-ethyl-1,3,4-thiadiazol-2-yl) carbamoyl)cyclopentyl)methyl)valeric acid
CAS: 337962-93-3
CID: 9862743
Formula: C16H25N3O3S
MW: 339.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.5
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass339.16166284
Monoisotopic Mass339.16166284
Topological Polar Surface Area120 Ų
Heavy Atom Count23
Formal Charge0
Complexity427
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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