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RN9893

CAT: 0931-T28548-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T28548-06Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1803003-68-0
Target
TRP/TRPV Channel
Related Pathways
Membrane transporter/Ion channel
Purity
0.9999
Bioactivity
RN9893 is a selective and potent TRPV4 receptor antagonist with IC50 values of 320, 420 and 660 nM for TRPV4 receptors in mouse, human and rat, respectively.
Smiles
C(NC1=CC=C(S(=O)(=O)N2CCN(C(C)C)CC2)C=C1)(=O)C3=C(N(=O)=O)C=C(C(F)(F)F)C=C3
Molecular Formula
C21H23F3N4O5S
Molecular Weight
500.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

RN-9893

structure in first source

CAS Number1803003-68-0
PubChem CID121513880
IUPAC Name2-nitro-N-[4-(4-propan-2-ylpiperazin-1-yl)sulfonylphenyl]-4-(trifluoromethyl)benzamide
Molecular FormulaC21H23F3N4O5S
Molecular Weight500.5
XLogP3.2
Topological Polar Surface Area124
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity827
SMILES
CC(C)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C21H23F3N4O5S/c1-14(2)26-9-11-27(12-10-26)34(32,33)17-6-4-16(5-7-17)25-20(29)18-8-3-15(21(22,23)24)13-19(18)28(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,25,29)
InChIKey
KORKKQLDGMHNKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RN-9893
CAS: 1803003-68-0
CID: 121513880
Formula: C21H23F3N4O5S
MW: 500.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.5
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass500.13412551
Monoisotopic Mass500.13412551
Topological Polar Surface Area124 Ų
Heavy Atom Count34
Formal Charge0
Complexity827
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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