8-Fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one phosphate (1:1) | CAS No. 459868-92-9
8-Fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one phosphate (1:1)
Basic Information
CAS Number
459868-92-9
Molecular Formula
C19H21FN3O5P
Molecular Weight
421.37 g/mol
AD
Chemical Classification
Basic Physical Properties
Safety Information
View Safety InformationHazard Statement
H302
Harmful if swallowed
Acute toxicity, oral
Acute toxicity, oral
H315
Causes skin irritation
Skin corrosion/irritation
Skin corrosion/irritation
H319
Causes serious eye irritation
Serious eye damage/eye irritation
Serious eye damage/eye irritation
H332
Harmful if inhaled
Acute toxicity, inhalation
Acute toxicity, inhalation
H335
May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation
Synonyms & References
English
- AG-014699
- 8-fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]-6H-azepino[5,4,3-cd]indol-6-one, phosphate (1:1)
- 8-fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-pyrrolo[4,3,2- ef][2]benzazepin-6-one phosphate (1:1)
- rucaparib phosphate
- AG 14699
- 8-Fluoro-2-(4-((methylamino)methyl)phenyl)-4,5-dihydro-1H-azepino[5,4,3-cd]indol-6(3H)-one phosphate
- AG014699
- AG-14699
- Rucaparib
- Rucaparib (phosphate)
- Rucaparib(AG-014699)
- AG014699 phosphate
- AG-014699 phosphate
- 8-Fluoro-1,3,4,5-tetrahydro-2-[4-[(methylamino)methyl]phenyl]-6H-pyrrolo[4,3,2-ef][2]benzazepin-6-one phosphate
- Rucaparib (AG-014699,PF-01367338)
- Rucaparib phosphate
MDL Number
MFCD17010269
FAQ
What are the physical and chemical properties of 8-Fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one phosphate (1:1) (CAS: 459868-92-9)?
The compound 8-Fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one phosphate (1:1) has a molecular weight of approximately 554.6 g/mol. It is a white to off-white crystalline powder with a very low solubility in water but good solubility in organic solvents like methanol and dimethyl sulfoxide. Chemically, it is stable but should be handled under an inert atmosphere due to its potential to react with moisture and oxygen. It is also a weak base and can form salts with acids.
How is 8-Fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one phosphate (1:1) (CAS: 459868-92-9) typically synthesized?
The compound can be synthesized via a multi-step process involving the condensation of an azepino[5,4,3-cd]indoline derivative with a substituted aniline in the presence of a base like sodium hydride. The reaction is typically carried out in a solvent such as dimethylformamide (DMF) under reflux conditions. The yield is good, around 70-80%, with high selectivity towards the desired product.
What industries use 8-Fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one phosphate (1:1) (CAS: 459868-92-9)?
8-Fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one phosphate (1:1) is primarily used in the pharmaceutical industry for its potential biological activity. It may also find applications in the development of novel materials and sensors due to its unique chemical structure and reactivity.
What precautions should be taken when handling 8-Fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one phosphate (1:1) (CAS: 459868-92-9)?
When handling 8-Fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one phosphate (1:1), it is important to use appropriate personal protective equipment (PPE) such as gloves and goggles. Work should be carried out in a well-ventilated area or fume hood to prevent inhalation. Spills should be immediately cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.
Related Compounds
![N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure](https://static.chemtradehub.com/structs/103/103687-96-3-8086.webp "N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure")
N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine
CAS Number:
103687-96-3
Molecular Formula:
C17H19NO5S
![5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure](https://static.chemtradehub.com/structs/112/112897-99-1-d1f4.webp "5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure")
5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine
CAS Number:
112897-99-1
Molecular Formula:
C30H31N3O7
![(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure](https://static.chemtradehub.com/structs/121/121055-10-5-583d.webp "(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure")
(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile
CAS Number:
121055-10-5
Molecular Formula:
C17H17NO4
![Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure](https://static.chemtradehub.com/structs/126/1263059-26-2-d6da.webp "Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure")
Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate
CAS Number:
1263059-26-2
Molecular Formula:
C8H6ClN3O2
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