Basic information
- CAS
891494-64-7- Standard SMILES
Cn1cc(-c2cnn3c(N)c(Br)c([C@H]4CCCNC4)nc23)cn1- InChIKey
GMIZZEXBPRLVIV-VIFPVBQESA-N- Molecular formula
- C15H18BrN7
- Average molar mass
- 376.25 g/mol
- Monoisotopic mass
- 375.08071
Names & identifiers
- Preferred name
- 6-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-((3S)-piperidin-3-yl)pyrazolo(1,5-a)pyrimidin-7-amine
- IUPAC
- 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
- English name
- SCH-900776
- Molecular formula
- C15H18BrN7
- Molecular weight
- 376.25
Names & synonyms
891494-64-76-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-((3S)-piperidin-3-yl)pyrazolo(1,5-a)pyrimidin-7-amineUNII-99Y1V29WVE99Y1V29WVEPyrazolo(1,5-a)pyrimidin-7-amine, 6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(3S)-3-piperidinyl-DTXSID602375526-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amineRefChem:104296DTXCID10160043SCH900776 (S-isomer)SCH900776 S-isomer(S)-6-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-A]pyrimidin-7-amine
Show more names
CS-582MK-8776CS-1915SCH-900776SCH900776(S)SCH 900776 (CAS:891494-64-7)
MFCD23135227C15H18BrN76-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amineMK-8776 S-isomer(S)-SCH900776SCH-900776 S-isomerSCH 900776 S-isoMerorb1223009
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 86.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 425
Physicochemical properties
- Density
- 1.801 · 1.801±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 37.6 mg/mL · ≥ 37.6 mg/mL in DMSO, ≥ 47.8 mg/mL in EtOH with ultrasonic
- form
- Powder
- pka
- 8.875 · 8.875±0.10(predicted)
- color
- Off-white to yellow
- FDA UNII
- 99 Y1V29WVE · 99Y1V29WVE
- 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
Uses6-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(3S)-3-piperidinylpyrazolo[1,5-a]pyrimidin-7-amine can be used as a protein kinase inhibitor useful in the treatment of protein kinase-mediated diseases.
Suppliers48 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海波以尔化工有限公司[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
United Life Science020-82099279 18988968278 · [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]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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