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V116517

CAT: 0931-T29084-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T29084-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1073616-61-1
Target
Others, TRP/TRPV Channel
Related Pathways
Others, Membrane transporter/Ion channel
Bioactivity
V-116517, a TRPV1 antagonist, is used potentially for the treatment of severe pain due to osteoarthritis and chronic pain due postherpetic neuralgia (PHN) .
Smiles
ClC1=C(C=2CCN(C(NC3=CC=C(C(F)(F)F)C=N3)=O)CC2)N=CC([C@@H](CO)O)=C1
Molecular Formula
C19H18ClF3N4O3
Molecular Weight
442.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

V-116517

V116517 is under investigation in clinical trial NCT01688947 (Analgesic Efficacy and Safety of V116517 in Subjects With Moderate to Severe Chronic Pain Due to Postherpetic Neuralgia (PHN)).

CAS Number1073616-61-1
PubChem CID57770545
IUPAC Name4-[3-chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridinyl]-N-[5-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
Molecular FormulaC19H18ClF3N4O3
Molecular Weight442.8
XLogP1.2
Topological Polar Surface Area98.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity637
SMILES
C1CN(CC=C1C2=C(C=C(C=N2)[C@@H](CO)O)Cl)C(=O)NC3=NC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C19H18ClF3N4O3/c20-14-7-12(15(29)10-28)8-25-17(14)11-3-5-27(6-4-11)18(30)26-16-2-1-13(9-24-16)19(21,22)23/h1-3,7-9,15,28-29H,4-6,10H2,(H,24,26,30)/t15-/m1/s1
InChIKey
BMWVHVOIXZOJTJ-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of V-116517
CAS: 1073616-61-1
CID: 57770545
Formula: C19H18ClF3N4O3
MW: 442.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.8
XLogP31.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass442.1019526
Monoisotopic Mass442.1019526
Topological Polar Surface Area98.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity637
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19196220-01V116517

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