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TRPV4 antagonist 4

CAT: 0931-T74832-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T74832-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2918803-89-9
Target
TRP/TRPV Channel, Others
Related Pathways
Others, Membrane transporter/Ion channel
Bioactivity
TRPV4 antagonist 4, a potent inhibitor of TRPV4 with an IC50 of 22.65 nM, effectively blocks TRPV4 current and demonstrates protective properties against acute lung injury [1].
Smiles
N(C(C)C)C=1N(C=2C(=C(NC(C)=O)C(Cl)=C(Cl)C2)N1)C3CCN(CC3)C4=CC=C(C=C4)C5(C#N)CCC5
Molecular Formula
C28H32Cl2N6O
Molecular Weight
539.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

TRPV4 antagonist 4
CAS Number2918803-89-9
PubChem CID167993654
IUPAC NameN-[5,6-dichloro-1-[1-[4-(1-cyanocyclobutyl)phenyl]piperidin-4-yl]-2-(propan-2-ylamino)benzimidazol-4-yl]acetamide
Molecular FormulaC28H32Cl2N6O
Molecular Weight539.5
XLogP5.8
Topological Polar Surface Area86
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity858
SMILES
CC(C)NC1=NC2=C(C(=C(C=C2N1C3CCN(CC3)C4=CC=C(C=C4)C5(CCC5)C#N)Cl)Cl)NC(=O)C
InChI
InChI=1S/C28H32Cl2N6O/c1-17(2)32-27-34-25-23(15-22(29)24(30)26(25)33-18(3)37)36(27)21-9-13-35(14-10-21)20-7-5-19(6-8-20)28(16-31)11-4-12-28/h5-8,15,17,21H,4,9-14H2,1-3H3,(H,32,34)(H,33,37)
InChIKey
HKOYZUBWZOWYKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TRPV4 antagonist 4
CAS: 2918803-89-9
CID: 167993654
Formula: C28H32Cl2N6O
MW: 539.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight539.5
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass538.2014651
Monoisotopic Mass538.2014651
Topological Polar Surface Area86 Ų
Heavy Atom Count37
Formal Charge0
Complexity858
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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