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TY-51469

CAT: 0013-GTR19202963-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202963-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TY-51469 is a potent and selective chymase inhibitor, exhibiting IC50 values of 0.4 nM for simian and 7.0 nM for human chymase. This small molecule is a valuable research tool for investigating chymase-related pathologies, such as fibrosis and inflammation, in both in vitro and in vivo experimental models.
CAS Number
603987-59-3
Product Name Alternative
Hamster chymase enzyme, Human chymase, TY51469, TY-51469, TY 51469, Simian chymase
Field of Research
Protein Biochemistry
Purity
98.89% (May vary between batches)
Solubility
DMSO:45 mg/mL (85.45 mM)
Smiles
Cc1c (sc2ccc (F) cc12) S (=O) (=O) Nc1ccc (cc1S (C) (=O) =O) -c1nc (cs1) C (O) =O
Molecular Formula
C20H15FN2O6S4
Molecular Weight
526.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

TY-51469
CAS Number603987-59-3
PubChem CID9828275
IUPAC Name2-[4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylphenyl]-1,3-thiazole-4-carboxylic acid
Molecular FormulaC20H15FN2O6S4
Molecular Weight526.6
XLogP4.6
Topological Polar Surface Area204
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity953
SMILES
CC1=C(SC2=C1C=C(C=C2)F)S(=O)(=O)NC3=C(C=C(C=C3)C4=NC(=CS4)C(=O)O)S(=O)(=O)C
InChI
InChI=1S/C20H15FN2O6S4/c1-10-13-8-12(21)4-6-16(13)31-20(10)33(28,29)23-14-5-3-11(7-17(14)32(2,26)27)18-22-15(9-30-18)19(24)25/h3-9,23H,1-2H3,(H,24,25)
InChIKey
CBRCULCCRGSSLB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TY-51469
CAS: 603987-59-3
CID: 9828275
Formula: C20H15FN2O6S4
MW: 526.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.6
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass525.97969906
Monoisotopic Mass525.97969906
Topological Polar Surface Area204 Ų
Heavy Atom Count33
Formal Charge0
Complexity953
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T17186-01TY-51469
DZA98759-01TY 51469
A21663-200TY-51469 200mg
A21663-25TY-51469 25mg
A21663-1TY-51469 1mg
A21663-10TY-51469 10mg
A21663-5TY-51469 5mg
A21663-100TY-51469 100mg
A21663-50TY-51469 50mg
C4797-100TY 52156

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