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SB705498

CAT: 0607-A8519-5.1Size: 10 mM (in 1mL DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-A8519-5.1Size:10 mM (in 1mL DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TRPV1 antagonist,potent and selective
CAS Number
501951-42-4
Product Name Alternative
1-(2-bromophenyl)-3-[(3R)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea
Field of Research
Membrane Transporter Ion Channel TRPV1
Purity
0.98
Form
A solid
Solubility
insoluble in H2O; ≥14.5 mg/mL in DMSO; ≥8.47 mg/mL in EtOH with ultrasonic
Smiles
C1CN(CC1NC(=O)NC2=CC=CC=C2Br)C3=NC=C(C=C3)C(F)(F)F
Molecular Formula
C17H16BrF3N4O
Molecular Weight
429.23
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Sb-705498

SB-705498 has been investigated for the treatment of Rhinitis, Chronic Cough, and Non-allergic Rhinitis.

CAS Number501951-42-4
PubChem CID9910486
IUPAC Name1-(2-bromophenyl)-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
Molecular FormulaC17H16BrF3N4O
Molecular Weight429.2
XLogP3.8
Topological Polar Surface Area57.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity493
SMILES
C1CN(C[C@@H]1NC(=O)NC2=CC=CC=C2Br)C3=NC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C17H16BrF3N4O/c18-13-3-1-2-4-14(13)24-16(26)23-12-7-8-25(10-12)15-6-5-11(9-22-15)17(19,20)21/h1-6,9,12H,7-8,10H2,(H2,23,24,26)/t12-/m1/s1
InChIKey
JYILLRHXRVTRSH-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of Sb-705498
CAS: 501951-42-4
CID: 9910486
Formula: C17H16BrF3N4O
MW: 429.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.2
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass428.04596
Monoisotopic Mass428.04596
Topological Polar Surface Area57.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity493
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
S2773-01SB705498

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