RHPS 4 methosulfate
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Basic information
- CAS
390362-78-4- Standard SMILES
COS(=O)(=O)[O-].Cc1cc2c3c([n+](C)c4ccc(F)cc4c3c1)-c1cc(F)ccc1N2C- InChIKey
VRWGYMXWYZBBGF-UHFFFAOYSA-M- Molecular formula
- C23H20F2N2O4S
- Average molar mass
- 458.5 g/mol
- Monoisotopic mass
- 458.11118462
Names & identifiers
- Preferred name
- RHPS 4 methosulfate
- IUPAC
- 4,16-difluoro-8,11,20-trimethyl-8-aza-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14(19),15,17-decaene;methyl sulfate
- English name
- RHPS4
- Molecular formula
- C23H20F2N2O4S
- Molecular weight
- 458.4777064
Names & synonyms
390362-78-4RHPS4RHPS 4 methosulfateRHPS4 methosulfateNSC-7141874,16-difluoro-8,11,20-trimethyl-8-aza-20-azoniapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14(19),15,17-decaene;methyl sulfate3,11-Difluoro-6,8,13-trimethyl-8H-quino[4,3,2-kl]acridiniumMethylSulfate3,11-Difluoro-6,8,13-trimethyl-8H-quinolino[4,3,2-kl]acridin-13-ium methyl sulfate3,11-Difluoro-6,8,13-trimethyl-8H-quino[4,3,2-kl]acridinium Methyl SulfateCHEMBL158083RHPS 4 Methosulfate;SCHEMBL384548
Show more names
RHPS4, 10 mM in DMSORHPS4 (methyl sulfate)3,11-Difluoro-6,8,13-trimethylquino[4,3,2-kl]acridinium methylsulfateHT29,RHPS 4,Telomerase,RHPS-4,breast,Apoptosis,cancer,Inhibitor,inhibit,M14,RHPS4,PC3,H460,H2AX,CG5
orb1300304C23H20F2N2O4SSCHEMBL17819002SCHEMBL29449721GLXC-03753MFCD30182275NSC714187s8118
Database identifiers
- CAS
390362-78-4- PubChem CID
- 9804187
- ChEMBL
CHEMBL158083
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 633
Physicochemical properties
- Melting point
- 256 · 256-258 °C
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 10.54 mg/mL · insoluble in EtOH; ≥10.54 mg/mL in DMSO; ≥2.51 mg/mL in H2O with ultrasonic
- form
- solid
- color
- Brown to reddish brown
- InChI
- 1S/C22H17F2N2.CH4O4S/c1-12-8-16-15-10-13(23)4-6-18(15)26(3)22-17-11-14(24)5-7-19(17)25(2)20(9-12)21(16)22;1-5-6(2,3)4/h4-11H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
- InChIKey
- VRWGYMXWYZBBGF-UHFFFAOYSA-M
- SMILES
- FC1=CC=C(N(C)C2=C3C4=[N+](C)C5=C(C=C(F)C=C5)C3=CC(C)=C2)C4=C1.[O-]S(=O)(OC)=O
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · WGK 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
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses3,11-Difluoro-6,8,13-trimethyl-8H-quino[4,3,2-kl]acridinium Methyl Sulfate is a G-quadruplex-stabilizing telomerase inhibitor (1). Telomerase inhibitors has been implicated as potential cancer specific therapy to disrupt DNA stability in tumor cells(2). Inhibiting telomerase activity can shorten telomere length, which may result in senescence or apoptosis.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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