7-Deazahypoxanthine

Name: 7-Deazahypoxanthine
Brand: Vaqora Chemicals
SKU: VQ-013168

About 7-Deazahypoxanthine

7-Deazahypoxanthine is a process intermediate or related compound of Tofacitinib carrying the CAS registry number 3680-71-5. The compound has the formula C6H5N3O, corresponding to a molecular weight of 135.12 g/mol. Systematically, it is named 3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one. Common synonyms include 3,7-Dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one and 3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one.

It is supplied as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. The GHS classification uses the signal word “Warning”, so appropriate gloves, eye protection and ventilation are recommended.

It is a process intermediate or related compound in the synthesis of Tofacitinib, useful for route development, impurity fate-and-purge studies and analytical method development. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

Vaqora Chemicals supplies 7-Deazahypoxanthine in 10 mg, 25 mg, 50 mg and 100 mg packs, each shipped with a Certificate of Analysis (COA), and exports worldwide. This item is currently in stock for prompt dispatch.

Typical applications

API route development
Impurity fate & purge studies
Analytical method development

Industries

Related to Tofacitinib

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

Tofacitinib impurities

Specifications & identifiers

Chemical identifiers
Product name	7-Deazahypoxanthine
Catalogue No.	VQ-013168
CAS Number	3680-71-5
Other CAS	1194710-85-4
IUPAC name	3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Molecular formula	C₆H₅N₃O
Molecular weight	135.12 g/mol
Exact mass	135.0433
Grade	Reference Standard
HSN code	2933
InChIKey	FBMZEITWVNHWJW-UHFFFAOYSA-N
SMILES	C1=CNC2=C1C(=O)NC=N2
PubChem CID	135408689

Physical properties
Physical form	Solid
LogP (XLogP3)	-0.2
H-bond donors / acceptors	2 / 2
TPSA	57.3 Å²
Synonyms	3,7-Dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, 3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, 1,7-Dihydropyrrolo[2,3-d]pyrimidin-4-one, 7H-Pyrrolo[2,3-d]pyrimidin-4-ol, 1H,4H,7H-Pyrrolo[2,3-d]pyrimidin-4-one, 1H-Pyrrolo[2,3-d]pyrimidin-4-ol, 4-Hydroxypyrrolopyrimidine, 1,7-Dihydro-4H-pyrrolo(2,3-d)pyrimidin-4-one, 3,7-Dihydro-4H-pyrrolo(2,3-d)pyrimidin-4-one, Pyrrolo[2,3-d]pyrimidin-4-ol, 4-hydroxypyrrolo[2,3-d]pyrimidine, 4-Hydroxy-7H-pyrrolo[2,3-d]pyrimidine

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H315Causes skin irritation
H317May cause an allergic skin reaction
H319Causes serious eye irritation
H335May cause respiratory irritation

Precautionary statements: P261, P264, P264 + P265, P271, P272, P280, P302 + P352, P304 + P340, P305 + P351 + P338, P319, P321, P332 + P317, P333 + P317, P337 + P317, P362 + P364, P403 + P233, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

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 7-Deazahypoxanthine?

The CAS Registry Number of 7-Deazahypoxanthine is 3680-71-5. It is also known as 3,7-Dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, 3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one, 1,7-Dihydropyrrolo[2,3-d]pyrimidin-4-one.

What is the molecular formula and molecular weight of 7-Deazahypoxanthine?

7-Deazahypoxanthine has the molecular formula C6H5N3O and a molecular weight of 135.12 g/mol. Its IUPAC name is 3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

What is 7-Deazahypoxanthine used for?

7-Deazahypoxanthine 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 7-Deazahypoxanthine can I order?

We supply 7-Deazahypoxanthine in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg, 250 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with 7-Deazahypoxanthine?

Yes. Every lot of 7-Deazahypoxanthine 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 7-Deazahypoxanthine be shipped internationally?

Yes. 7-Deazahypoxanthine is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.