1-((R)-3-(4-Amino-3-(4-(phenoxy-D5)phenyl)-1H… 2068022-09-1

Name: 1-((R)-3-(4-Amino-3-(4-(phenoxy-D5)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2,3-dihydroxypropan-1-one
Brand: Vaqora Chemicals
SKU: VQ-037620

About 1-((R)-3-(4-Amino-3-(4-(phenoxy-D5)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2,3-dihydroxypropan-1-one

Vaqora Chemicals supplies 1-((R)-3-(4-Amino-3-(4-(phenoxy-D5)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2,3-dihydroxypropan-1-one, a stable isotope labelled analogue related to Ibrutinib registered under CAS number 2068022-09-1. Formula C25H26N6O4, molecular weight 479.5 g/mol. Common synonyms include Dihydrodiol Ibrutinib-d5 and Dihydrodiol-Ibrutinib-d5.

The product is provided as a solid. Store the standard in its sealed vial, protected from light and moisture, and follow the storage condition printed on the COA. Good laboratory practice and suitable PPE are recommended during handling.

This isotope-labelled compound is used as an internal standard for LC-MS and LC-MS/MS quantitation of Ibrutinib and related analytes in bioanalytical, pharmacokinetic and impurity studies. It is used across pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

LC-MS/MS internal standard
Bioanalytical quantitation
Pharmacokinetic studies

Industries

Related to Ibrutinib

View every impurity, metabolite and intermediate we list for Ibrutinib.

Ibrutinib impurities

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Specifications & identifiers

Chemical identifiers
Product name	1-((R)-3-(4-Amino-3-(4-(phenoxy-D5)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2,3-dihydroxypropan-1-one
Catalogue No.	VQ-037620
CAS Number	2068022-09-1
IUPAC name	1-[(3R)-3-[4-amino-3-[4-(2,3,4,5,6-pentadeuteriophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one
Molecular formula	C₂₅H₂₆N₆O₄
Molecular weight	479.5 g/mol
Exact mass	479.2329
Grade	Reference Standard
HSN code	38229090
InChIKey	NWKPMPRXJGMTKQ-ROSSWGEHSA-N
SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])OC2=CC=C(C=C2)C3=NN(C4=NC=NC(=C34)N)[C@@H]5CCCN(C5)C(=O)C(CO)O)[2H])[2H]
PubChem CID	91971610

Physical properties
Physical form	Solid
LogP (XLogP3)	1.7
H-bond donors / acceptors	3 / 8
TPSA	140 Å²

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of 1-((R)-3-(4-Amino-3-(4-(phenoxy-D5)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2,3-dihydroxypropan-1-one?

The CAS Registry Number of 1-((R)-3-(4-Amino-3-(4-(phenoxy-D5)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2,3-dihydroxypropan-1-one is 2068022-09-1. It is also known as Dihydrodiol Ibrutinib-d5, Dihydrodiol-Ibrutinib-d5.

What is the molecular formula and molecular weight of 1-((R)-3-(4-Amino-3-(4-(phenoxy-D5)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2,3-dihydroxypropan-1-one?

1-((R)-3-(4-Amino-3-(4-(phenoxy-D5)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2,3-dihydroxypropan-1-one has the molecular formula C25H26N6O4 and a molecular weight of 479.5 g/mol. Its IUPAC name is 1-[(3R)-3-[4-amino-3-[4-(2,3,4,5,6-pentadeuteriophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-2,3-dihydroxypropan-1-one.

What is 1-((R)-3-(4-Amino-3-(4-(phenoxy-D5)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2,3-dihydroxypropan-1-one used for?

1-((R)-3-(4-Amino-3-(4-(phenoxy-D5)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2,3-dihydroxypropan-1-one is supplied as a characterised reference material related to Ibrutinib. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of 1-((R)-3-(4-Amino-3-(4-(phenoxy-D5)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2,3-dihydroxypropan-1-one can I order?

We supply 1-((R)-3-(4-Amino-3-(4-(phenoxy-D5)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2,3-dihydroxypropan-1-one in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 1-((R)-3-(4-Amino-3-(4-(phenoxy-D5)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2,3-dihydroxypropan-1-one?

Yes. Every lot of 1-((R)-3-(4-Amino-3-(4-(phenoxy-D5)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2,3-dihydroxypropan-1-one is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can 1-((R)-3-(4-Amino-3-(4-(phenoxy-D5)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2,3-dihydroxypropan-1-one be shipped internationally?

Yes. We export 1-((R)-3-(4-Amino-3-(4-(phenoxy-D5)phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2,3-dihydroxypropan-1-one worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.