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PW507

CAT: 0013-GTR19238015-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238015-02Size:10 mg
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Description
PW507 is a potent and selective sigma-1 receptor (S1R) antagonist (Ki = 7.5 nM) with demonstrated blood-brain barrier penetration. It is a research tool used in preclinical studies, particularly for investigating mechanisms and potential treatments for painful diabetic neuropathy (PDN) in vivo and in vitro.
CAS Number
2573850-59-4
Smiles
Cl.N=1C (=NN (C1C=2C=CC (=CC2) C (C) (C) C) C) CN3CCCC3
Molecular Formula
C18H27ClN4
Molecular Weight
334.89
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(4-Tert-butylphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole;hydrochloride
CAS Number2573850-59-4
PubChem CID172419455
IUPAC Name5-(4-tert-butylphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole;hydrochloride
Molecular FormulaC18H27ClN4
Molecular Weight334.9
Topological Polar Surface Area34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity351
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=NC(=NN2C)CN3CCCC3.Cl
InChI
InChI=1S/C18H26N4.ClH/c1-18(2,3)15-9-7-14(8-10-15)17-19-16(20-21(17)4)13-22-11-5-6-12-22;/h7-10H,5-6,11-13H2,1-4H3;1H
InChIKey
RZUDJVCJZRKGCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(4-Tert-butylphenyl)-1-methyl-3-(pyrrolidin-1-ylmethyl)-1,2,4-triazole;hydrochloride
CAS: 2573850-59-4
CID: 172419455
Formula: C18H27ClN4
MW: 334.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass334.1924246
Monoisotopic Mass334.1924246
Topological Polar Surface Area34 Ų
Heavy Atom Count23
Formal Charge0
Complexity351
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T89328-01PW507

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