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TROX-1

CAT: 0804-HY-120751-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-120751-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TROX-1 is a state-dependent N-type calcium channel (CaV2.2) inhibitor with an IC50 value of 0.11 μM. TROX-1 can be used in chronic pain research[1].
CAS Number
1309601-26-0
UNSPSC
12352005
Target
Calcium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/trox-1.html
Purity
99.55
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C1N(C2=C([C@]1(CC3=CN=CN=C3)C)C=C(C=C2)C4=CC=C(C(Cl)=C4)F)C5=NNC=N5
Molecular Formula
C22H16ClFN6O
Molecular Weight
434.85
References & Citations
[1]Swensen AM, et al. Characterization of the substituted N-triazole oxindole TROX-1, a small-molecule, state-dependent inhibitor of Ca (V) 2 calcium channels. Mol Pharmacol. 2012 Mar;81 (3) :488-97.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
N-type calcium channel

Chemical Information

Trox-1
CAS Number1309601-26-0
PubChem CID57466939
IUPAC Name(3R)-5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)indol-2-one
Molecular FormulaC22H16ClFN6O
Molecular Weight434.9
XLogP3.9
Topological Polar Surface Area87.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity666
SMILES
C[C@]1(C2=C(C=CC(=C2)C3=CC(=C(C=C3)F)Cl)N(C1=O)C4=NC=NN4)CC5=CN=CN=C5
InChI
InChI=1S/C22H16ClFN6O/c1-22(8-13-9-25-11-26-10-13)16-6-14(15-2-4-18(24)17(23)7-15)3-5-19(16)30(20(22)31)21-27-12-28-29-21/h2-7,9-12H,8H2,1H3,(H,27,28,29)/t22-/m1/s1
InChIKey
OABSWPUPIHULMQ-JOCHJYFZSA-N
Chemical Structure
2D Structure
2D structure of Trox-1
CAS: 1309601-26-0
CID: 57466939
Formula: C22H16ClFN6O
MW: 434.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.9
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass434.1058150
Monoisotopic Mass434.1058150
Topological Polar Surface Area87.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity666
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

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