Purine - CAS 120-73-0

Catalog:	BB004949
Product Name:	Purine
CAS:	120-73-0
Synonyms:	7H-purine

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	7H-purine
Description:	A purine is a heterocyclic aromatic organic compound that consists of a pyrimidine ring fused to an imidazole ring.Purines are found in high concentration in meat and meat products, especially internal organs such as liver and kidney.
Molecular Weight:	120.11
Molecular Formula:	C5H4N4
Canonical SMILES:	C1=C2C(=NC=N1)N=CN2
InChI:	InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
InChI Key:	KDCGOANMDULRCW-UHFFFAOYSA-N
Boiling Point:	424 °C at 760 mmHg
Melting Point:	214-217 °C (lit.)
Purity:	> 95 %
Density:	1.472 g/cm³
Solubility:	500.0 mg/mL
Appearance:	White to yellow powder
MDL:	MFCD00079221
LogP:	0.35290

Publication Number	Title	Priority Date
WO-2015155753-A2	Novel linkers and their uses in specific conjugation of drugs to a biological molecule	20150810
US-2015314017-A1	Disulfur bridge linkers for conjugation of a cell-binding molecule	20150715
WO-2015151081-A2	Bridge linkers for conjugation of a cell-binding molecule	20150712
WO-2015151080-A2	Specific conjugation of a cell-binding molecule	20150704
WO-2015151079-A2	Auristatin analogues and their conjugates with cell-binding molecules	20150620

PMID	Publication Date	Title	Journal
33939976	20210801	Exposure to a mixture of cigarette smoke carcinogens disturbs gut microbiota and influences metabolic homeostasis in A/J mice	Chemico-biological interactions
33325755	20201201	Metabolomic and Transcriptomic Analysis of MCF-7 Cells Exposed to 23 Chemicals at Human-Relevant Levels: Estimation of Individual Chemical Contribution to Effects	Environmental health perspectives
32835833	20201015	Comprehensive analysis of transcriptomics and metabolomics to understand triptolide-induced liver injury in mice	Toxicology letters
32519852	20200720	Integrated Proteomics and Metabolomics Reveal the Mechanism of Nephrotoxicity Induced by Triptolide	Chemical research in toxicology
31955578	20200213	Discovery of a Brain-Penetrant ATP-Competitive Inhibitor of the Mechanistic Target of Rapamycin (mTOR) for CNS Disorders	Journal of medicinal chemistry

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Related Functional Groups

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Complexity:	105
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	120.043596145
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	120.043596145
Rotatable Bond Count:	0
Topological Polar Surface Area:	54.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4