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BTT-266

CAT: 0013-GTR19188321-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188321-07Size:100 mg
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Description
BTT-266 is a small molecule voltage-gated calcium channel (VGCC) blocker used for pain research. It is applied in in vitro electrophysiology studies and in vivo models of neuropathic and inflammatory pain to investigate analgesic mechanisms and calcium channel function.
CAS Number
2413939-89-4
Product Name Alternative
BTT 266, BTT266, BTT-266, Calcium Channel, CalciumChannel
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
97.97% (May vary between batches)
Solubility
DMSO:50 mg/mL (89.83 mM)
Smiles
COC1=CC=C (C2=NN (C (=O) C3=CC (C (=O) O) =CC=C3) C (C3=CN (C4=CC=CC=C4) N=C3C3=CC=C (C) C=C3) C2) C=C1
Molecular Formula
C34H28N4O4
Molecular Weight
556.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 137701962
CAS Number2413939-89-4
PubChem CID137701962
IUPAC Name3-[5-(4-methoxyphenyl)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-3,4-dihydropyrazole-2-carbonyl]benzoic acid
Molecular FormulaC34H28N4O4
Molecular Weight556.6
XLogP5.9
Topological Polar Surface Area97
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity967
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2C3CC(=NN3C(=O)C4=CC(=CC=C4)C(=O)O)C5=CC=C(C=C5)OC)C6=CC=CC=C6
InChI
InChI=1S/C34H28N4O4/c1-22-11-13-24(14-12-22)32-29(21-37(36-32)27-9-4-3-5-10-27)31-20-30(23-15-17-28(42-2)18-16-23)35-38(31)33(39)25-7-6-8-26(19-25)34(40)41/h3-19,21,31H,20H2,1-2H3,(H,40,41)
InChIKey
BYYPOQSHTFEGDL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 137701962
CAS: 2413939-89-4
CID: 137701962
Formula: C34H28N4O4
MW: 556.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight556.6
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass556.21105539
Monoisotopic Mass556.21105539
Topological Polar Surface Area97 Ų
Heavy Atom Count42
Formal Charge0
Complexity967
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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