Basic information
- CAS
120770-34-5- Standard SMILES
NC(=O)C1CN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1CC(=O)Nc1c(Cl)cc(N)cc1Cl- InChIKey
IWMYIWLIESDFRZ-UHFFFAOYSA-N- Molecular formula
- C30H33Cl2F2N5O2
- Average molar mass
- 604.5 g/mol
- Monoisotopic mass
- 603.197937
Overview
a nucleoside transport inhibitor; has cardioprotective effect; draflazine is the (-)-enantiomer; R 88016 is the (+)-enantiomer
Names & identifiers
- Preferred name
- Draflazine
- IUPAC
- 1-[2-(4-amino-2,6-dichloroanilino)-2-oxoethyl]-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide
- English name
- Draflazine
- Molecular formula
- C30H33Cl2F2N5O2
- Molecular weight
- 604.526
Names & synonyms
Draflazine120770-34-5DraflazinaDraflazinumR-75231R 75231R75231R-703800Y25DT968YDTXSID60869655R703801-Piperazineacetamide, 2-(aminocarbonyl)-N-(4-amino-2,6-dichlorophenyl)-4-(5,5-bis(4-fluorophenyl)pentyl)-
Show more names
1-Piperazineacetamide, 2-(aminocarbonyl)-N-(4-amino-2,6-dichlorophenyl)-4-[5,5-bis(4-fluorophenyl)pentyl]-
2-aminocarbonyl-N-(4-amino-2,6-dichlorophenyl)-4-(5,5-bis(4-fluorophenyl)-pentyl)-1-piperazineacetamide1-{[(4-amino-2,6-dichlorophenyl)carbamoyl]methyl}-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide1-(((4-amino-2,6-dichlorophenyl)carbamoyl)methyl)-4-(5,5-bis(4-fluorophenyl)pentyl)piperazine-2-carboxamideR 88016RefChem:920651DTXCID708176071-[2-(4-amino-2,6-dichloroanilino)-2-oxoethyl]-4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide(S)-Draflazine
Database identifiers
- CAS
120770-34-5- PubChem CID
- 60849
- DTXSID
DTXSID60869655- ChEMBL
CHEMBL1628717- UNII
- 0Y25DT968Y
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 810
Physicochemical properties
- Melting point
- 213.1 °C · 213.1 °C
- Boiling point
- 755.9 · 755.9±60.0 °C(Predicted)
- Density
- 1.338 · 1.338±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Solid
- pka
- 12.37 · 12.37±0.70(Predicted)
- color
- White to off-white
- FDA UNII
- 0 Y25DT968Y · 0Y25DT968Y
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE).
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
Applications
UsesCardioprotectant.
UsesDraflazine can be used to treat SLC29A2 nuclear-expressing cancer.
Suppliers6 total
United Life Science020-82099279 18988968278 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
佛山合硕医药科技有限公司15363639686 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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