Name: Ibrutinib-[d4]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-015105

Molecular Formula: C25H20D4N6O2

Molecular Weight: 444.53

Chemical Structure

Description	Ibrutinib-[d4] is a labelled form of Ibrutinib. Ibrutinib can be used to treat such cancers, including mantle cell lymphoma, chronic lymphocytic leukemia, and Waldenström macroglobulinemia.
Synonyms	(R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl-2,2,6,6-d4)prop-2-en-1-one; Ibrutinib-d4; Ibrutinib D4; 1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-2-propen-1-one-d4; PCI 32765-d4; PCI 32765-00-d4; CRA 032765-d4; (R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one-d4
IUPAC Name	1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2,2,6,6-tetradeuteriopiperidin-1-yl]prop-2-en-1-one
Related CAS	936563-96-1 (unlabelled)
Canonical SMILES	[2H]C1(CC[C@H](C(N1C(=O)C=C)([2H])[2H])N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N)[2H]
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/i14D2,15D2
InChI Key	XYFPWWZEPKGCCK-RYQMCZJDSA-N
Purity	>95%
Storage	Store at 2-8 °C