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Prosultiamine

CAT: 0804-HY-119807-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-119807-01Size:250 mg
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Description
Prosultiamine is an allithiamine homolog. Prosultiamine can disrupt intracellular redox reactions, inducing caspase-dependent apoptosis in HTLV-1 infected cells. Prosultiamine can be used in studies involving lower urinary tract dysfunction associated with human T-lymphotropic virus type 1-related myelopathy/tropical spastic paraparesis[1].
CAS Number
59-58-5
UNSPSC
12352005
Hazard Statement
H302-H319-H372-H410
Target
Apoptosis; Caspase
Type
Reference compound
Related Pathways
Apoptosis
Field of Research
Endocrinology
Assay Protocol
https://www.medchemexpress.com/prosultiamine.html
Smiles
O=CN(/C(C)=C(CCO)/SSCCC)CC1=CN=C(N=C1N)C
Molecular Formula
C15H24N4O2S2
Molecular Weight
356.51
Precautions
P260-P264-P270-P273-P280-P305+P351+P338-P330-P391-P501
References & Citations
[1]Matsuo T, et al. Prosultiamine for treatment of lower urinary tract dysfunction accompanied by human T-lymphotropic virus type 1-associated myelopathy/tropical spastic paraparesis. Int J Urol. 2018 Jan;25 (1) :54-60.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Prosultiamine

RN given refers to parent cpd; structure

CAS Number59-58-5
PubChem CID4963
IUPAC NameN-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl]formamide
Molecular FormulaC15H24N4O2S2
Molecular Weight356.5
XLogP1.1
Topological Polar Surface Area143
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity396
SMILES
CCCSSC(=C(C)N(CC1=CN=C(N=C1N)C)C=O)CCO
InChI
InChI=1S/C15H24N4O2S2/c1-4-7-22-23-14(5-6-20)11(2)19(10-21)9-13-8-17-12(3)18-15(13)16/h8,10,20H,4-7,9H2,1-3H3,(H2,16,17,18)
InChIKey
UDCIYVVYDCXLSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Prosultiamine
CAS: 59-58-5
CID: 4963
Formula: C15H24N4O2S2
MW: 356.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.5
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass356.13406837
Monoisotopic Mass356.13406837
Topological Polar Surface Area143 Ų
Heavy Atom Count23
Formal Charge0
Complexity396
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T20851-01Prosultiamine

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