Sch-900776
Basic information
- CAS
891494-63-6- Standard SMILES
Cn1cc(-c2cnn3c(N)c(Br)c([C@@H]4CCCNC4)nc23)cn1- InChIKey
GMIZZEXBPRLVIV-SECBINFHSA-N- Molecular formula
- C15H18BrN7
- Average molar mass
- 376.25 g/mol
- Monoisotopic mass
- 375.08071
Overview
Sch 900776 has been used in trials studying the treatment of Neoplasms, Hodgkin Disease, Adult Erythroleukemia, Lymphoma, Non-Hodgkin, and Myelogenous Leukemia, Acute, among others.
Names & identifiers
- Preferred name
- Sch-900776
- IUPAC
- 6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
- English name
- SCH900776
- Molecular formula
- C15H18BrN7
- Molecular weight
- 376.25
Names & synonyms
891494-63-6SCH900776SCH-900776SCH 900776(R)-6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amineMK-8776K2ZSF0992CDTXSID00237551(R)-6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo(1,5-a)pyrimidin-7-amine6-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-((3R)-piperidin-3-yl)pyrazolo(1,5-a)pyrimidin-7-aminePyrazolo(1,5-a)pyrimidin-7-amine, 6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(3R)-3-piperidinyl-6-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-[(3R)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
Show more names
SCH900776(R)SCH 900776, >=98%SCH900776 USP/EP/BPSCH 900776 (MK-8776)MK-8776 (SCH900776)(S)SCH900776, 10 mM in DMSOMK-8776 (SCH 900776) ，S2735MK-8776.SCH900776 MK-8776 SCH-900776 MK8776
MK8776RefChem:159222CHK1 Inhibitor MK-8776DTXCID501600426-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo(5,1-b)pyrimidin-7-amineMK-8776 (SCH 900776)MFCD209228736-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(3R)-3-piperidinylpyrazolo[1,5-a]pyrimidin-7-amine
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
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Density
- 1.8 · 1.80
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 2 O; · insoluble in H2O; insoluble in EtOH; ≥18.8 mg/mL in DMSO
- form
- A crystalline solid
- pka
- 8.88 · 8.88±0.10(Predicted)
- color
- White to off-white
- InChI
- 1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3/t9-/m1/s1
- InChIKey
- GMIZZEXBPRLVIV-SECBINFHSA-N
- SMILES
- NC1=C(Br)C([C@H]2CNCCC2)=NC3=C(C4=CN(C)N=C4)C=NN13
- FDA UNII
- 2 ZSF0992C · K2ZSF0992C
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Chemistry & industry
Applications
UsesThis compound acts as a novel Chk1 inhibitor acting as an anticancer agent.
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Compound notes
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