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Alethine

CAT: 0931-T29857-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T29857-01Size:1 mg
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CAS Number
646-08-2
Target
Apoptosis, TNF
Related Pathways
Apoptosis
Purity
0.9978
Bioactivity
Alethine (β-Alethine) is a small molecule compound with antitumour activity and is used to treat tumours and infections. The alethine-induced up-regulation of TNFα increases the cytotoxicity of T cells.
Smiles
N(CCSSCCNC(CCN)=O)C(CCN)=O
Molecular Formula
C10H22N4O2S2
Molecular Weight
294.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

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