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(Rac) -PD0299685

CAT: 0804-HY-169115ASize: 1 EachDry Ice: NoHazardous: No
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Description
(Rac) -PD0299685 is a Ca (2+) channel α2δ ligand that was investigated for relieving interstitial cystitis pain in a randomized, double-blind, placebo-controlled phase IIa study. (Rac) -PD0299685 demonstrated a clinically significant reduction in daily worst pain severity scores at the 60 mg dose compared to placebo. (Rac) -PD0299685 is also a potent voltage-dependent calcium channel inhibitor for the study of retina-related diseases.
CAS Number
313651-02-4
UNSPSC
12352211
Target
Calcium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/rac-pd0299685.html
Smiles
O=C(CC(CC(CCC)C)CN)O
Molecular Formula
C10H21NO2
Molecular Weight
187.28
References & Citations
[1]Investigation of a Ca2+ channel α2δ ligand for the treatment of interstitial cystitis: results of a randomized, double-blind, placebo controlled phase II trial
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-(Aminomethyl)-5-methyloctanoic acid
CAS Number313651-02-4
PubChem CID9836970
IUPAC Name3-(aminomethyl)-5-methyloctanoic acid
Molecular FormulaC10H21NO2
Molecular Weight187.28
XLogP-0.5
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count13
Formal Charge0
Complexity148
SMILES
CCCC(C)CC(CC(=O)O)CN
InChI
InChI=1S/C10H21NO2/c1-3-4-8(2)5-9(7-11)6-10(12)13/h8-9H,3-7,11H2,1-2H3,(H,12,13)
InChIKey
KKXFMWXZXDUYBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Aminomethyl)-5-methyloctanoic acid
CAS: 313651-02-4
CID: 9836970
Formula: C10H21NO2
MW: 187.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight187.28
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass187.157228913
Monoisotopic Mass187.157228913
Topological Polar Surface Area63.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity148
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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