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TCS 401

CAT: 0013-GTR19157293-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157293-02Size:500 mg
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Description
TCS 401 is a selective inhibitor of protein-tyrosine phosphatase 1B (PTP1B; Ki = 0.29 μM) .
CAS Number
243966-09-8
Purity
>98% (HPLC)
Solubility
DMSO:11 mg/mL (35.86 mM)
Smiles
Cl.OC (=O) C (=O) Nc1sc2CNCCc2c1C (O) =O
Molecular Formula
C10H11ClN2O5S
Molecular Weight
306.72
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2- (Oxaloamino) -4567-tetrahydrothieno[23-c]pyridine-3-carboxylic acid hydrochloride

Chemical Information

2-[(Carboxycarbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-C]pyridine-3-carboxylic acid hydrochloride
CAS Number243966-09-8
PubChem CID56972185
IUPAC Name2-(oxaloamino)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid;hydrochloride
Molecular FormulaC10H11ClN2O5S
Molecular Weight306.72
Topological Polar Surface Area144
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity388
SMILES
C1CNCC2=C1C(=C(S2)NC(=O)C(=O)O)C(=O)O.Cl
InChI
InChI=1S/C10H10N2O5S.ClH/c13-7(10(16)17)12-8-6(9(14)15)4-1-2-11-3-5(4)18-8;/h11H,1-3H2,(H,12,13)(H,14,15)(H,16,17);1H
InChIKey
LQGCAMWQDSYOAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(Carboxycarbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-C]pyridine-3-carboxylic acid hydrochloride
CAS: 243966-09-8
CID: 56972185
Formula: C10H11ClN2O5S
MW: 306.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.72
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass306.0077203
Monoisotopic Mass306.0077203
Topological Polar Surface Area144 Ų
Heavy Atom Count19
Formal Charge0
Complexity388
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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