TS-021

CAT: 0931-T29019-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T29019-01Size:1 mg

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

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CAS Number

667865-69-2

Target

Proteasome, DPP-4

Related Pathways

Ubiquitination, Proteases/Proteasome

Purity

>99.99%

Bioactivity

TS-021 is a selective dipeptidyl peptidase 4 (DPP-4) inhibitor with antidiabetic activity for the study of type 2 diabetes.

Smiles

S(=O)(=O)(O)C1=CC=CC=C1.C(CNC(CO)(C)C)(=O)N1[C@H](C#N)C[C@H](F)C1

Molecular Formula

C17H24FN3O5S

Molecular Weight

401.45

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

(2S,4S)-4-fluoro-1-((1-hydroxy-2-methylpropan-2-yl)glycyl)pyrrolidine-2-carbonitrile benzenesulfonate

CAS Number	667865-69-2
PubChem CID	9865778
IUPAC Name	benzenesulfonic acid;(2S,4S)-4-fluoro-1-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetyl]pyrrolidine-2-carbonitrile
Molecular Formula	C17H24FN3O5S
Molecular Weight	401.5
Topological Polar Surface Area	139
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	520

SMILES

CC(C)(CO)NCC(=O)N1C[C@H](C[C@H]1C#N)F.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C11H18FN3O2.C6H6O3S/c1-11(2,7-16)14-5-10(17)15-6-8(12)3-9(15)4-13;7-10(8,9)6-4-2-1-3-5-6/h8-9,14,16H,3,5-7H2,1-2H3;1-5H,(H,7,8,9)/t8-,9-;/m0./s1

InChIKey

BMWITAUNXBHIPO-OZZZDHQUSA-N

Chemical Structure

2D Structure

CAS: 667865-69-2

CID: 9865778

Formula: C17H24FN3O5S

MW: 401.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	401.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	401.14207021
Monoisotopic Mass	401.14207021
Topological Polar Surface Area	139 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	520
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T6256-01	YYA-021
T211043-01	CPS-021
T209331-01	LM-021
T9901A-1717-01	Sym-021
T21870-01	C-021
T3557-01	GAL-021
T61239-01	GAL-021 sulfate
T10639-01	C-021 dihydrochloride
T86306-01	DS-22-inf-021
T204796-01	TS-IN-5

Alternative Products

Catalog	Name
GTR19196281-01	TS-021
HY-U00346-01	TS-021 (free base)
MBS131455	YYA-021 (YYA 021; YYA021)
HY-174247	CPS-021
HY-100039-01	YYA-021
HY-157992-01	LM-021
E0486-5mg	C-021
MBS578035	BIIB-021
sc-364434A	BIIB 021
BA6883-50	GAL-021

TS-021

Chemical Information

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