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Sulfopin

CAT: 1410-M24127-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M24127-02Size:5 mg
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Description
Sulfopin is a highly selective covalent inhibitor of Pin1 with an apparent Ki of 17nM. Sulfopin blocks Myc-driven tumors in vivo.
CAS Number
2451481-08-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
281.8
Molecular Formula
C11H20ClNO3S
Notes
Research use only, not for human use.
Receptor
Pin1

Chemical Information

2-chloro-N-(2,2-dimethylpropyl)-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide

Sulfopin is a sulfone that is thiolane substituted by two oxo groups at position 1 and by a (chloroacetyl)(2,2-dimethylpropyl)amino group at position 3. It is a covalent inhibitor of Pin1 (Ki = 17 nM) that inhibits Myc-driven tumors in vivo. It has a role as an antineoplastic agent and an EC 5.2.* (cis-trans-isomerase) inhibitor. It is a tertiary carboxamide, a sulfone, an organochlorine compound and a member of tetrahydrothiophenes.

CAS Number2451481-08-4
PubChem CID155804394
IUPAC Name2-chloro-N-(2,2-dimethylpropyl)-N-(1,1-dioxothiolan-3-yl)acetamide
Molecular FormulaC11H20ClNO3S
Molecular Weight281.80
XLogP1.6
Topological Polar Surface Area62.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity381
SMILES
CC(C)(C)CN(C1CCS(=O)(=O)C1)C(=O)CCl
InChI
InChI=1S/C11H20ClNO3S/c1-11(2,3)8-13(10(14)6-12)9-4-5-17(15,16)7-9/h9H,4-8H2,1-3H3
InChIKey
NMHVAHHYKGXBMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-chloro-N-(2,2-dimethylpropyl)-N-(1,1-dioxo-1lambda6-thiolan-3-yl)acetamide
CAS: 2451481-08-4
CID: 155804394
Formula: C11H20ClNO3S
MW: 281.80
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.80
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass281.0852424
Monoisotopic Mass281.0852424
Topological Polar Surface Area62.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity381
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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