4-Aminopyrazolo[3,4-d]pyrimidine - CAS 2380-63-4

Name: 4-Aminopyrazolo[3,4-d]pyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018194
Product Name:	4-Aminopyrazolo[3,4-d]pyrimidine
CAS:	2380-63-4
Synonyms:	1H-Pyrazolo[3,4-d]pyrimidine, 4-amino-; 1H-Pyrazolo[3,4-d]pyrimidin-4-ylamine; 4-Amino-1H-pyrazolo[3,4-d]pyrimidine; 7-Deaza-8-aza-adenine; 7-Deaza-8-azaadenine; 8-Aza-7-deazaadenine; NSC 1393

Technical Data

IUPAC Name:	1H-pyrazolo[3,4-d]pyrimidin-4-amine
Description:	4-Aminopyrazolo[3,4-d]pyrimidine (CAS# 2380-63-4) is a highly potent adenosine deaminase inhibitors. An adenine analog.
Molecular Weight:	135.13
Molecular Formula:	C5H5N5
Canonical SMILES:	C1=NNC2=C1C(=NC=N2)N
InChI:	InChI=1S/C5H5N5/c6-4-3-1-9-10-5(3)8-2-7-4/h1-2H,(H3,6,7,8,9,10)
InChI Key:	LHCPRYRLDOSKHK-UHFFFAOYSA-N
Boiling Point:	243.2±50.0°C at 760 mmHg
Melting Point:	353-356°C
Purity:	≥95%
Density:	1.89±0.1 g/cm3
Solubility:	Soluble in DMSO
Appearance:	Light Tan Solid
Storage:	Store at -20°C
MDL:	MFCD00005688
LogP:	0.51630

GHS Hazard Statement:	H301 (97.83%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

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CN-113264937-A	4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof	20210608
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PMID	Publication Date	Title	Journal
29178617	20180401	Serum Lipid and Protein Changes in Healthy Dyslipidemic Subjects Given a Selective Inhibitor of p70 S6 Kinase-1	Journal of clinical pharmacology
22683558	20121001	Spectroscopic, electronic structure and natural bond analysis of 2-aminopyrimidine and 4-aminopyrazolo[3,4-d]pyrimidine: a comparative study	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
21824808	20111101	Vibrational analysis of 4-amino pyrazolo (3,4-d) pyrimidine A joint FTIR, Laser Raman and scaled quantum mechanical studies	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
20681566	20100915	Azide-alkyne 'click' conjugation of 8-aza-7-deazaadenine-DNA: synthesis, duplex stability, and fluorogenic dye labeling	Bioconjugate chemistry
20206704	20100601	Detection by voxel-wise statistical analysis of significant changes in regional cerebral glucose uptake in an APP/PS1 transgenic mouse model of Alzheimer's disease	NeuroImage

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.05449518
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	135.05449518
Rotatable Bond Count:	0
Topological Polar Surface Area:	80.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2