Ibrutinib依鲁替尼

Name: Ibrutinib
CAS#: 936563-96-1
Chemical Formula: C25H24N6O2
Exact Mass: 440.19607
Molecular Weight: 440.49706
Elemental Analysis: C, 68.17; H, 5.49; N, 19.08; O, 7.26

Description: Ibrutinib, also known as PCI-32765, is a potent and orally active BTK inhibitor. Ibrutinib binds to and inhibits BTK activity, preventing B-cell activation and B-cell-mediated signaling and inhibiting the growth of malignant B cells that overexpress BTK. Ibrutinib was approved by the US FDA on November 13, 2013 for the treatment of mantle cell lymphoma.

Synonym: PCI32765, PCI-32765, PCI 32765, Ibrutinib, Imbruvica

IUPAC/Chemical Name: (R)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one.

InChi Key: XYFPWWZEPKGCCK-GOSISDBHSA-N

InChi Code: 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

SMILES Code: C=CC(N1C[C@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C5=C(N)N=CN=C52)CCC1)=O

Appearance: white solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO at 80 mg / mL

Shelf Life: >5 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001