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TA-5707

CAT: 0013-GTR19242023-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242023-01Size:10 mg
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Description
TA-5707F is a small molecule inhibitor designed to block IgE-mediated homologous passive cutaneous anaphylaxis (PCA) . It serves as a research tool for investigating allergic mechanisms and is applicable in both in vivo PCA models and in vitro studies of mast cell degranulation.
CAS Number
83282-09-1
Smiles
O=C (C1=CC=CC (C) =N1) NC2=NN=N[N-]2.[Na+]
Molecular Formula
C8H7N6NaO
Molecular Weight
226.17
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

TA-5707
CAS Number83282-09-1
PubChem CID23711636
IUPAC Namesodium (6-methylpyridine-2-carbonyl)-(2H-tetrazol-5-yl)azanide
Molecular FormulaC8H7N6NaO
Molecular Weight226.17
Topological Polar Surface Area85.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity241
SMILES
CC1=NC(=CC=C1)C(=O)[N-]C2=NNN=N2.[Na+]
InChI
InChI=1S/C8H8N6O.Na/c1-5-3-2-4-6(9-5)7(15)10-8-11-13-14-12-8;/h2-4H,1H3,(H2,9,10,11,12,13,14,15);/q;+1/p-1
InChIKey
RYUBOCZNGCDGOU-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of TA-5707
CAS: 83282-09-1
CID: 23711636
Formula: C8H7N6NaO
MW: 226.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight226.17
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass226.05790315
Monoisotopic Mass226.05790315
Topological Polar Surface Area85.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity241
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

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