3-(4-Phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
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- ₹0
- Product name: 3-(4-Phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine
- CAS: 330786-24-8
- MF: C17H13N5O
- MW: 303.32
- EINECS:810-090-0
- MDL Number:MFCD15146640
- Synonyms:2) 3-(4-PHENOXYPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE;ibrutinib N-2;1H-Pyrazolo[3,4-d]pyriMidin-4-aMine, 3-(4-phenoxyphenyl)-;Ibrutinib intermeidate N-2;Ibrutinib INT1;Ibrutinib Impurity 8;-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMine;PCI-32765 (IBRUTINIB) INTERMEDIATE(N-2)
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Properties
Melting point :>262oC (dec.)
Boiling point :577.4±50.0 °C(Predicted)
Density :1.380±0.06 g/cm3(Predicted)
storage temp. :Keep in dark place,Inert atmosphere,Room temperature
solubility :DMSO (Slightly), Ethanol (Slightly)
pka :10.40±0.30(Predicted)
form :Solid
color :Pale Brown to Brown
InChI :InChI=1S/C17H13N5O/c18-16-14-15(21-22-17(14)20-10-19-16)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H3,18,19,20,21,22)
InChIKey :YYVUOZULIDAKRN-UHFFFAOYSA-N
SMILES :C1=NC(N)=C2C(C3=CC=C(OC4=CC=CC=C4)C=C3)=NNC2=N1
Boiling point :577.4±50.0 °C(Predicted)
Density :1.380±0.06 g/cm3(Predicted)
storage temp. :Keep in dark place,Inert atmosphere,Room temperature
solubility :DMSO (Slightly), Ethanol (Slightly)
pka :10.40±0.30(Predicted)
form :Solid
color :Pale Brown to Brown
InChI :InChI=1S/C17H13N5O/c18-16-14-15(21-22-17(14)20-10-19-16)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H3,18,19,20,21,22)
InChIKey :YYVUOZULIDAKRN-UHFFFAOYSA-N
SMILES :C1=NC(N)=C2C(C3=CC=C(OC4=CC=CC=C4)C=C3)=NNC2=N1
Safety Information
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Description
5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyriMidin-4-ylaMine, also known as ibrutinib N-2, is a light brown solid. It can be prepared from 3-Iodo-1H-pyrazolo[3,4-d]pyrimidin-4-amine and 4-phenoxybenzeneboronicacid by Suzuki coupling reaction[1]. Ibrutinib N-2 is often used in the preparation of the marketed drug PCI-32765 (IMBRUVICAVR)[2]. PCI-32765 is aIbrutinib -BTK inhibitor and can be used as an anticancer drug to treat B cell cancers like mantle cell lymphoma and chronic lymphocytic leukemia.More related product prices
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