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7-Deazahypoxanthine - 97%, high purity , CAS No.3680-71-5

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7-Deazahypoxanthine - 97%, high purity , CAS No.3680-71-5

COA

Grade & Purity:

≥97%

Cas Number: 3680-71-5
Molecular Weight: 135.12
MDL number: MFCD08234923
PubChem CID: 135408689

In stock

Item Number

D124092

Grouped product items
SKU	Size	Availability	Price
D124092-1g	1g	3	$15.90
D124092-5g	5g	3	$56.90
D124092-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$102.90
D124092-25g	25g	3	$228.90
D124092-100g	100g	3	$820.90
D124092-500g	500g	2	$3,693.90

View related series

azole (525) Five-Membered Heterocyclic Compounds (2064)

Basic Description

Synonyms	7-Deaza-6-hydroxy purine \| PB29165 \| STL555021 \| 1,7-DIHYDRO-4H-PYRROLO[2,3-D]PYRIMIDIN-4-ONE \| 7H-Pyrrolo[2,3-d]pyrimidine-4-ol \| AC-3601 \| PS-3938 \| 1,7-DIHYDRO-PYRROLO[2,3-D]PYRIMIDIN-4-ONE \| 1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one \| 7-Deazahypoxanthi
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	It is used as pharmaceutical intermediate. Methylated 7-Deazahypoxanthines is used as regiochemical probes of xanthine oxidase

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolopyrimidines
    - Subclass Pyrrolo[2,3-d]pyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolopyrimidines
Subclass	Pyrrolo[2,3-d]pyrimidines
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolo[2,3-d]pyrimidines
Alternative Parents	Pyrimidones Vinylogous amides Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrrolo[2,3-d]pyrimidine - Pyrimidone - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Pyrrole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

XDH Tclin Xanthine dehydrogenase (1038 Activities)

Discover Target: XDH

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
INCHI	InChI=1S/C6H5N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H,(H2,7,8,9,10)
InChIKey	FBMZEITWVNHWJW-UHFFFAOYSA-N
Smiles	C1=CNC2=C1C(=O)NC=N2
Isomeric SMILES	C1=CNC2=C1C(=O)NC=N2
WGK Germany	3
RTECS	UY9440000
Molecular Weight	135.12
Reaxy-Rn	607861
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=607861&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
F1508149	Certificate of Analysis	Mar 07, 2023	D124092
B2224276	Certificate of Analysis	Jan 06, 2022	D124092
B2224172	Certificate of Analysis	Jan 06, 2022	D124092
B2224261	Certificate of Analysis	Jan 06, 2022	D124092
B2224204	Certificate of Analysis	Jan 06, 2022	D124092
F2405130	Certificate of Analysis	Jan 06, 2022	D124092

Chemical and Physical Properties

Sensitivity	light & heat sensitive,Hygroscopic
Melt Point(°C)	345-350°C
Molecular Weight	135.120 g/mol
XLogP3	-0.200
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	135.043 Da
Monoisotopic Mass	135.043 Da
Topological Polar Surface Area	57.300 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	189.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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