N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpipe… 1616761-00-2

About N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-2-chloro-7-deazapurine-6-amine

N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-2-chloro-7-deazapurine-6-amine is an impurity of Tofacitinib carrying the CAS registry number 1616761-00-2. Its molecular formula is C16H19ClN6O and its molecular weight is 346.81 g/mol. It is also known as 2-Chloro-tofacitinib or (3S,4S)-2-Chloro-Tofacitinib.

It is supplied as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. Handle it with standard laboratory precautions and appropriate personal protective equipment.

This Tofacitinib impurity supports analytical method development and validation (AMV), batch release testing and the impurity sections of ANDA and DMF filings. Typical end-use sectors are 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

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Related to Tofacitinib

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

Tofacitinib impurities

Specifications & identifiers

Chemical identifiers
Product name	N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-2-chloro-7-deazapurine-6-amine
Catalogue No.	VQ-028424
CAS Number	1616761-00-2
IUPAC name	3-[(3R,4R)-3-[(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile
Molecular formula	C₁₆H₁₉ClN₆O
Molecular weight	346.81 g/mol
Exact mass	346.1309
Grade	Reference Standard
HSN code	38229090
InChIKey	PBBKAMYFZVSJCI-PWSUYJOCSA-N
SMILES	C[C@@H]1CCN(C[C@@H]1N(C)C2=NC(=NC3=C2C=CN3)Cl)C(=O)CC#N
PubChem CID	78358283

Physical properties
Physical form	Solid
LogP (XLogP3)	2.5
H-bond donors / acceptors	1 / 5
TPSA	88.9 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 N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-2-chloro-7-deazapurine-6-amine?

The CAS Registry Number of N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-2-chloro-7-deazapurine-6-amine is 1616761-00-2. It is also known as 2-Chloro-tofacitinib, (3S,4S)-2-Chloro-Tofacitinib, CS-M2306.

What is the molecular formula and molecular weight of N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-2-chloro-7-deazapurine-6-amine?

N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-2-chloro-7-deazapurine-6-amine has the molecular formula C16H19ClN6O and a molecular weight of 346.81 g/mol. Its IUPAC name is 3-[(3R,4R)-3-[(2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-methylamino]-4-methylpiperidin-1-yl]-3-oxopropanenitrile.

What is N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-2-chloro-7-deazapurine-6-amine used for?

N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-2-chloro-7-deazapurine-6-amine is supplied as a characterised reference material related to Tofacitinib. 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 N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-2-chloro-7-deazapurine-6-amine can I order?

We supply N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-2-chloro-7-deazapurine-6-amine 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 N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-2-chloro-7-deazapurine-6-amine?

Yes. Every lot of N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-2-chloro-7-deazapurine-6-amine 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 N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-2-chloro-7-deazapurine-6-amine be shipped internationally?

Yes. We export N-Methyl-N-(3R,4R)-1-cyanoacetyl-4-methylpiperidin-3-yl-2-chloro-7-deazapurine-6-amine worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.