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Ibrutinib



Chemical Properties of 'Ibrutinib'

CAT No. :

CS-T-29032
CAS Registry No. : 936563-96-1
Category : API Standards
Molecular Weight: 440.50
Molecular Formula : C₂₅H₂₄N₆O₂



OTHER INFORMATION of 'Ibrutinib'
Purity : Not less than 90%
Therapeutic : Anti-Cancer / Oncology
Purity : Not less than 90%
Therapeutic : Anti-Cancer / Oncology
IUPAC Name :1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
Applicationnotes :Ibrutinib is a highly selective Bruton’s tyrosine kinase (Btk) irreversible inhibitor.
Synonym :Not Available
References :"MacGlashan, D,, et, al,: Int, Immunol,, 11, 475 (2011)"
Smileys :NC1=C(C(C2=CC=C(OC3=CC=CC=C3)C=C2)=NN4[C@H](CCC5)CN5C(C=C)=O)C4=NC=N1
Appearance :White to off white solid
Color / Form :White to off-white solid
Melting Point :149-158ºC
Use Classification :Human drugs -> Imbruvica -> EMA Drug Category
Hazard Class :Acute Tox. 4 (55.56%)
EC Number :805-642-2
UNII :1X70OSD4VX
NCI Thesaurus Code :C81934
RXCUI :1442981
MeSH Entry Terms :1-((3R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-1-yl)piperidin-1- yl)prop-2-en-1-one
Other Synonyms :Ibrutinib
Removed Synonyms :Ibrutinib [USAN]
Vapor Pressure : 3.97X10-15 mm Hg at 25 °C (est)
Other Experimental Properties :Hydroxyl radical reaction rate constant = 2.47X10-10 cu cm/molec-sec at 25 °C (est)
Label Ingredient : IBRUTINIB
NDC Code :57962-014-28, 57962-070-28, 57962-140-09, 57962-140-12, 57962-280-28, 57962-420-28, 57962-420-71, 57962-560-28, 57962-560-71
Disposal Methods :SRP: Expired or waste pharmaceuticals shall carefully take into consideration applicable DEA, EPA, and FDA regulations. It is not appropriate to dispose by flushing the pharmaceutical down the toilet or discarding to trash. If possible return the pharmaceutical to the manufacturer for proper disposal being careful to properly label and securely package the material. Alternatively, the waste pharmaceutical shall be labeled, securely packaged and transported by a state licensed medical waste contractor to dispose by burial in a licensed hazardous or toxic waste landfill or incinerator.
Toxicity Summary :Ibrutinib was not showed to present a mutagenic potential in bacterial assays, nor clastogenic in chromosome aberration assays in mammalian cells or in bone marrow micronucleus assays in mice. Carcinogenicity or effects on fertility have not been determined.
Hepatotoxicity :In the prelicensure clinical trials of ibrutinib in patients with CLL and mantle cell lymphoma, the rates of serum enzyme elevations during therapy were 20% to 30% but were similar to comparator arms, and elevations were generally mild (less than 5 times ULN) and self limited. In multiple controlled trials there were no reports of clinically apparent liver injury or need for early discontinuation because of hepatotoxicity. The major toxicities of ibrutinib resembled those of the tyrosine kinase receptor inhibitors and included hemorrhage and myelosuppression. While ibrutinib depressed peripheral lymphocyte counts and caused both lymphopenia and neutropenia, it has little effect on serum immunoglobulin levels and was not associated with reactivation of tuberculosis or opportunistic infections in prelicensure studies. Nevertheless, with approval and more widespread use of ibrutinib, rare cases of acute liver injury including acute liver failure and severe instances of reactivation of hepatitis B have been reported. The latency to onset of liver injury varied from several weeks to 9 months. The pattern of injury was hepatocellular, but the course was atypical of an acute hepatitis-like injury and more similar to acute hepatic necrosis with early onset of hepatic failure.
Human Toxicity Excerpts :/HUMAN EXPOSURE STUDIES/ We performed a prospective study of ibrutinib in 63 symptomatic patients with Waldenstrom's macroglobulinemia who had received at least one previous treatment, and we investigated the effect of MYD88 and CXCR4 mutations on outcomes. Ibrutinib at a daily dose of 420 mg was administered orally until disease progression or the development of unacceptable toxic effects. After the patients received ibrutinib, median serum IgM levels decreased from 3520 mg per deciliter to 880 mg per deciliter, median hemoglobin levels increased from 10.5 g per deciliter to 13.8 g per deciliter, and bone marrow involvement decreased from 60% to 25% (P<0.01 for all comparisons). The median time to at least a minor response was 4 weeks. The overall response rate was 90.5%, and the major response rate was 73.0%; these rates were highest among patients with MYD88(L265P)CXCR4(WT) (with WT indicating wild-type) (100% overall response rate and 91.2% major response rate), followed by patients with MYD88(L265P)CXCR4(WHIM) (85.7% and 61.9%, respectively) and patients with MYD88(WT)CXCR4(WT) (71.4% and 28.6%). The estimated 2-year progression-free and overall survival rates among all patients were 69.1% and 95.2%, respectively. Treatment-related toxic effects of grade 2 or higher included neutropenia (in 22% of the patients) and thrombocytopenia (in 14%), which were more common in heavily pretreated patients; postprocedural bleeding (in 3%); epistaxis associated with the use of fish-oil supplements (in 3%); and atrial fibrillation associated with a history of arrhythmia (5%). Ibrutinib was highly active, associated with durable responses, and safe in pretreated patients with Waldenstrom's macroglobulinemia. MYD88 and CXCR4 mutation status affected responses to this drug.
Non Human Toxicity Excerpts :/LABORATORY ANIMALS: Developmental or Reproductive Toxicity/ Based on findings in animals, IMBRUVICA can cause fetal harm when administered to a pregnant woman. Ibrutinib caused malformations in rats at exposures 14 times those reported in patients with MCL and 20 times those reported in patients with CLL or WM, receiving the ibrutinib dose of 560 mg per day and 420 mg per day, respectively. Reduced fetal weights were observed at lower exposures. Advise women to avoid becoming pregnant while taking IMBRUVICA. If this drug is used during pregnancy or if the patient becomes pregnant while taking this drug, the patient should be apprised of the potential hazard to a fetus.
Protein Binding :Irreversible plasma protein binding increases gradually over time and reaches 25% of the administered dose 8 hours after initial administration. From the plasma proteins, ibrutinib has been shown to be mainly bound to albumin and to bind to α1 AGP. The irreversible protein binding of ibrutinib to plasma proteins can account for 97.3% of the administered dose.
Exact Mass :440.19607403
InChI :InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
InchIKey :XYFPWWZEPKGCCK-GOSISDBHSA-N
Canonical SMILES :C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
Isomeric SMILES :C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N
Product Description :Ibrutinib is a member of the class of acrylamides that is (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine in which the piperidine nitrogen is replaced by an acryloyl group. A selective and covalent inhibitor of the enzyme Bruton's tyrosine kinase, it is used for treatment of B-cell malignancies. It has a role as an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor and an antineoplastic agent. It is a pyrazolopyrimidine, an aromatic amine, an aromatic ether, a member of acrylamides, a N-acylpiperidine and a tertiary carboxamide.
Custom Duty : Applicable
Port of Loading : Canada
Expected Dispatch : 2-3 Weeks
Taxes : Not Applicable
Refund Policy : 30-days money back
Custom Duty : Applicable
Port of Loading : Canada
Expected Dispatch : 2-3 Weeks
Taxes : Not Applicable
Refund Policy : 30-days money back


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