Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H22N6O |
Molecular Weight | 386.4497 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
NC1=C2C(=NC=N1)N(N=C2C3=CC=C(OC4=CC=CC=C4)C=C3)[C@@H]5CCCNC5
InChI
InChIKey=GPSQYTDPBDNDGI-MRXNPFEDSA-N
InChI=1S/C22H22N6O/c23-21-19-20(15-8-10-18(11-9-15)29-17-6-2-1-3-7-17)27-28(22(19)26-14-25-21)16-5-4-12-24-13-16/h1-3,6-11,14,16,24H,4-5,12-13H2,(H2,23,25,26)/t16-/m1/s1
Molecular Formula | C22H22N6O |
Molecular Weight | 386.4497 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/26630553
Sources: https://www.ncbi.nlm.nih.gov/pubmed/26630553
(R)-3-(4-phenoxyphenyl)-1-(piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine is a chemical precursor of BTK inhibitor ibrutinib and related compounds. (R)-3-(4-phenoxyphenyl)-1-(piperidin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine lacks the propenamide group that is responsible for covalent binding to cysteine residue of BTK kinase.
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:04:33 GMT 2023
by
admin
on
Sat Dec 16 19:04:33 GMT 2023
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Record UNII |
NR6GN4MC2R
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Record Status |
Validated (UNII)
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Record Version |
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NR6GN4MC2R
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admin on Sat Dec 16 19:04:34 GMT 2023 , Edited by admin on Sat Dec 16 19:04:34 GMT 2023
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