Basic information
- CAS
59-58-5- Standard SMILES
CCCSSC(CCO)=C(C)N(C=O)Cc1cnc(C)nc1N- InChIKey
UDCIYVVYDCXLSX-UHFFFAOYSA-N- Molecular formula
- C15H24N4O2S2
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.13406837
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- Prosultiamine
- IUPAC
- N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[5-hydroxy-3-(propyldisulfanyl)pent-2-en-2-yl]formamide
- English name
- Prosultiamine
- Molecular formula
- C15H24N4O2S2
- Molecular weight
- 356.51
Names & synonyms
prosultiamine59-58-5DTXSID1046633ProsultiaminaProsultiaminumThiamine propyl disulfideJubedelTaketronThiobetaBinovaThiamine propyldisulfideThiamine propyl disulphide
Show more names
alitontipidinervilonneurvitanevritonNSC23893arinamineAlinamineNSC 23893
DTXCID9026633pposultiaminaNSC-23893thiaminepropyldisulfidethiamine propyldisulphideRefChem:176637200-436-3Alinamin
Database identifiers
- CAS
59-58-5- PubChem CID
- 4963
- DTXSID
DTXSID1046633- ChEMBL
CHEMBL1442890、CHEMBL2361888- EC Number
- 200-436-3
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Melting point
- 128.5 °C · 128.5°C (rough estimate)
- Boiling point
- 593.7 · 593.7±50.0 °C(Predicted)
- Density
- 1.2212 · 1.2212 (rough estimate)
- refractive index
- 1.62 · 1.6200 (estimate)
- pka
- 14.43 · 14.43±0.10(Predicted)
- FDA UNII
- 32 MM3XE3 · UI32MM3XE3
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Other Safety InformationIMAP assessments - Formamide, N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldithio)-1-butenyl]-: Environment tier I assessment
Safety data
- risk_code
- 20/21/22-36/37/38
- safety_code
- 26-36/37/39
Chemistry & industry
Applications
UsesProsultiamine 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].
Suppliers56 total
杭州品高化工有限公司0571-87658025 · [email protected]
湖北金梭生物科技有限公司00123456789 · [email protected]
武汉灵灵九生物科技有限公司15623309010 · [email protected]
陕西帕尼尔生物科技有限公司029-84385017; +8613259417953 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
湖北辰心化工有限公司18696113233 · [email protected]
江西瑞威尔生物科技有限公司400-880-2824 18107960669 · [email protected]
江西瑞威尔生物科技有限公司18502728206 · [email protected]
湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
江西瑞威尔生物科技有限公司18502762009 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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