Reversan
Basic information
- CAS
313397-13-6- Standard SMILES
O=C(NCCCN1CCOCC1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12- InChIKey
JTRXWCLQFAZHGP-UHFFFAOYSA-N- Molecular formula
- C26H27N5O2
- Average molar mass
- 441.5 g/mol
- Monoisotopic mass
- 441.2164751
Overview
inhibits multidrug resistance-associated protein 1
Names & identifiers
- Preferred name
- Reversan
- IUPAC
- N-(3-morpholin-4-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
- English name
- Reversan
- Molecular formula
- C26H27N5O2
- Molecular weight
- 441.52
Names & synonyms
Reversan313397-13-6DTXSID80367845RefChem:179032DTXCID90318883CBLC4H10N-[3-(4-morpholinyl)propyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamideN-(3-Morpholinopropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamideN-(3-morpholin-4-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamideCHEMBL1506885N-[3-(morpholin-4-yl)propyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamideMLS000570931
Show more names
Reversan, MRP1 and P-glycoprotein inhibitorPyrazolo[1,5-a]pyrimidine-3-carboxamide, N-[3-(4-morpholinyl)propyl]-5,7-diphenyl-5,7-Diphenyl-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (3-morpholin-4-yl-propyl)-amideReversanQ: What is Reversan Q: What is the CAS Number of Reversan Q: What is the storage condition of Reversan Q: What are the applications of Reversan
N-[3-(4-Morpholinyl)propyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide;ReversanQ: What isorb1708684Reversan, >=98% (HPLC)SCHEMBL14039227REGID_for_CID_2298706GLXC-03910HMS2467O12
Database identifiers
- CAS
313397-13-6- PubChem CID
- 2298706
- DTXSID
DTXSID80367845- ChEMBL
CHEMBL1506885- Nikkaji
- J3.792.481D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 616
Physicochemical properties
- Melting point
- 176 · 176-180°C
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- Store at RT
- solubility
- 8 mg/mL · DMSO: ≥8mg/mL at ~60°C
- pka
- 11.33 · 11.33±0.46(Predicted)
- form
- powder
- color
- faint yellow to yellow
- InChI
- 1S/C26H27N5O2/c32-26(27-12-7-13-30-14-16-33-17-15-30)22-19-28-31-24(21-10-5-2-6-11-21)18-23(29-25(22)31)20-8-3-1-4-9-20/h1-6,8-11,18-19H,7,12-17H2,(H,27,32)
- InChIKey
- JTRXWCLQFAZHGP-UHFFFAOYSA-N
- SMILES
- O=C(NCCCN1CCOCC1)c2cnn3c(cc(nc23)-c4ccccc4)-c5ccccc5
- UNSPSC Code
- 12161501 · 12161501
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesReversan represents a new class of nontoxic MRP1 inhibitor, which may be clinically useful for the treatment of neuroblastoma.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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