TY-51469

CAT: 0931-T17186-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T17186-02Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

603987-59-3

Target

Others, Proteasome

Related Pathways

Proteases/Proteasome, Ubiquitination, Others

Purity

0.9965

Bioactivity

TY-51469 is an inhibitor of chymase (IC50s for simian and human chymases: 0.4 and 7.0 nM, respectively) .

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

TY-51469

CAS Number	603987-59-3
PubChem CID	9828275
IUPAC Name	2-[4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylphenyl]-1,3-thiazole-4-carboxylic acid
Molecular Formula	C20H15FN2O6S4
Molecular Weight	526.6
XLogP	4.6
Topological Polar Surface Area	204
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Heavy Atom Count	33
Formal Charge	0
Complexity	953

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

CAS: 603987-59-3

CID: 9828275

Formula: C20H15FN2O6S4

MW: 526.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	526.6
XLogP3	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	6
Exact Mass	525.97969906
Monoisotopic Mass	525.97969906
Topological Polar Surface Area	204 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	953
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
MBS5770143	TY-51469
DZA98759-01	TY 51469
A21663-200	TY-51469 200mg
A21663-25	TY-51469 25mg
A21663-1	TY-51469 1mg
A21663-10	TY-51469 10mg
A21663-5	TY-51469 5mg
A21663-100	TY-51469 100mg
A21663-50	TY-51469 50mg
C4797-100	TY 52156

TY-51469

Chemical Information

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