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β-Alethine

CAT: 0804-HY-119866-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-119866-04Size:25 mg
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Description
β-Alethine is a disulfide that can be used as an anti-tumor agent and immune adjuvant[1][2].
CAS Number
646-08-2
UNSPSC
12352211
Target
Apoptosis; TNF Receptor
Type
Reference compound
Related Pathways
Apoptosis
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/β-alethine.html
Solubility
10 mM in DMSO
Smiles
O=C(CCN)NCCSSCCNC(CCN)=O
Molecular Formula
C10H22N4O2S2
Molecular Weight
294.44
References & Citations
[1]Galen D, et al. US5643966A. 1995|[2]Floyd Taub, et al. WO1999042098A1. 1999.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

beta-Alethine

Alethine is studied in the treatment of cancer. It belongs to a family of chemicals called disulfides. It is a low molecular weight disulfide that has been shown to exhibit in vivo antitumor activity in murine myeloma and melanoma models.

CAS Number646-08-2
PubChem CID69532
IUPAC Name3-amino-N-[2-[2-(3-aminopropanoylamino)ethyldisulfanyl]ethyl]propanamide
Molecular FormulaC10H22N4O2S2
Molecular Weight294.4
XLogP-2.5
Topological Polar Surface Area161
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count18
Formal Charge0
Complexity218
SMILES
C(CN)C(=O)NCCSSCCNC(=O)CCN
InChI
InChI=1S/C10H22N4O2S2/c11-3-1-9(15)13-5-7-17-18-8-6-14-10(16)2-4-12/h1-8,11-12H2,(H,13,15)(H,14,16)
InChIKey
WELIVEBWRWAGOM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of beta-Alethine
CAS: 646-08-2
CID: 69532
Formula: C10H22N4O2S2
MW: 294.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.4
XLogP3-2.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass294.11841830
Monoisotopic Mass294.11841830
Topological Polar Surface Area161 Ų
Heavy Atom Count18
Formal Charge0
Complexity218
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5779488Alethine
T208699-01N, N’-bis-Cbz-β-Alethine

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