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Basic information
- CAS
1242156-23-5- Standard SMILES
CN1CCN(c2ccc(Nc3cc(-c4cccc(-n5ccc6cc(C7CC7)cc(F)c6c5=O)c4CO)cn(C)c3=O)nc2)CC1- InChIKey
ZTUJNJAKTLHBEX-UHFFFAOYSA-N- Molecular formula
- C35H35FN6O3
- Average molar mass
- 606.7 g/mol
- Monoisotopic mass
- 606.27546716
Names & identifiers
- Preferred name
- RN486
- IUPAC
- 6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]isoquinolin-1-one
- English name
- RN486
- Molecular formula
- C35H35FN6O3
- Molecular weight
- 606.69
Names & synonyms
RN4861242156-23-56-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxopyridin-3-yl]phenyl]isoquinolin-1-one6-Cyclopropyl-8-fluoro-2-(2-hydroxymethyl-3-{1-methyl-5-[5-(4-methyl-piperazin-1-yl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-2H-isoquinolin-1-one6-cyclopropyl-8-fluoro-2-(2-(hydroxymethyl)-3-(1-methyl-5-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-6-oxopyridin-3-yl)phenyl)isoquinolin-1-one6-cyclopropyl-8-fluoro-2-(2-hydroxymethyl-3-(1-methyl-5-(5-(4-methyl-piperazin-1-yl)-pyridin-2-ylamino)-6-oxo-1,6-dihydro-pyridin-3-yl)-phenyl)-2H-isoquinolin-1-oneRefChem:179580RN-486MFCD24682729RN 486CHEMBL20579186-cyclopropyl-8-fluoro-2-(2-(hydroxymethyl)-3-(1-methyl-5-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)isoquinolin-1(2H)-one
Show more names
RN468CS-689RN486/RN-486RN486 LM-2078RN486 TFA SaltRN486, 10 mM in DMSO
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,210
Physicochemical properties
- Boiling point
- 868.6 · 868.6±65.0 °C(Predicted)
- Density
- 1.378 · 1.378±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 30.35 mg/mL · ≥30.35 mg/mL in DMSO with gentle warming; insoluble in H2O; insoluble in EtOH
- form
- solid
- pka
- 13.95 · 13.95±0.10(Predicted)
- color
- Off-white to light yellow
- CAS DataBase Reference
- 1242156 · 1242156-23-5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesRN 486 is a Bruton’s tyrosine kinase (Btk) inhibitor, blocking receptor cross-linking-induced degranulation in mast cells. May be used in the prevention of arthritis and other autoimmune diseases.
Suppliers83 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
苏州景皓生物科技有限公司18136139868; 18136139868 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州博瑞生物科技有限公司13656121842 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
上海波以尔化工有限公司[email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
InvivoChem中国13549236410 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
Related reactions
2 records
Compound notes
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