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I-152

CAT: 1410-M36625-01Size: 1 EachDry Ice: NoHazardous: No
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Description
I-152, a conjugate of N-acetyl-cysteine (NAC) and cysteamine (MEA), activates NRF2 and ATF4 signaling pathways and exhibits anti-proliferative properties .
CAS Number
311343-11-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
264.36
Molecular Formula
C9H16N2O3S2
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Ethanethioic acid, S-(2-(((2R)-2-(acetylamino)-3-mercapto-1-oxopropyl)amino)ethyl)ester
CAS Number311343-11-0
PubChem CID484333
IUPAC NameS-[2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]ethyl] ethanethioate
Molecular FormulaC9H16N2O3S2
Molecular Weight264.4
XLogP-0.4
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count16
Formal Charge0
Complexity271
SMILES
CC(=O)N[C@@H](CS)C(=O)NCCSC(=O)C
InChI
InChI=1S/C9H16N2O3S2/c1-6(12)11-8(5-15)9(14)10-3-4-16-7(2)13/h8,15H,3-5H2,1-2H3,(H,10,14)(H,11,12)/t8-/m0/s1
InChIKey
PCFWUYJHCYCQKP-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of Ethanethioic acid, S-(2-(((2R)-2-(acetylamino)-3-mercapto-1-oxopropyl)amino)ethyl)ester
CAS: 311343-11-0
CID: 484333
Formula: C9H16N2O3S2
MW: 264.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight264.4
XLogP3-0.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass264.06023472
Monoisotopic Mass264.06023472
Topological Polar Surface Area102 Ų
Heavy Atom Count16
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes