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Fursultiamine

CAT: 0013-GTR19159386-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159386-01Size:200 mg
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Description
Fursultiamine is a compound used for therapy of thiamine deficiency. It’s phosphorylated metabolites may be administered as multivitamin preparations. Fursultiamine has been identified as a drug candidate against prostate cancer from the aspect of somatic cell reprogramming and may be useful as a therapeutic tool in number of human neurological diseases.
CAS Number
804-30-8
Product Name Alternative
Fursultiamine | Judolor | Linamin | Tetrahydrofurfuryl thiamine disulfide
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO : 106.7 mg/mL 267.73 mM
Smiles
CC (N (Cc1cnc (C) nc1N) C=O) =C (CCO) SSCC1CCCO1
Molecular Formula
C17H26N4O3S2
Molecular Weight
398.54
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(E) -N- ((4-amino-2-methylpyrimidin-5-yl) methyl) -N- (5-hydroxy-3- (((tetrahydrofuran-2-yl) methyl) disulfanyl) pent-2-en-2-yl) formamide

Chemical Information

Fursultiamine

Fursultiamine is a member of pyrimidines.

CAS Number804-30-8
PubChem CID3002119
IUPAC NameN-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(E)-5-hydroxy-3-(oxolan-2-ylmethyldisulfanyl)pent-2-en-2-yl]formamide
Molecular FormulaC17H26N4O3S2
Molecular Weight398.5
XLogP0.6
Topological Polar Surface Area152
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count26
Formal Charge0
Complexity481
SMILES
CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(\CCO)/SSCC2CCCO2)/C
InChI
InChI=1S/C17H26N4O3S2/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20)/b16-12+
InChIKey
JTLXCMOFVBXEKD-FOWTUZBSSA-N
Chemical Structure
2D Structure
2D structure of Fursultiamine
CAS: 804-30-8
CID: 3002119
Formula: C17H26N4O3S2
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass398.14463305
Monoisotopic Mass398.14463305
Topological Polar Surface Area152 Ų
Heavy Atom Count26
Formal Charge0
Complexity481
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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596312Fursultiamine
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