6-Amino-8-bromo-9H-purine - CAS 6974-78-3

Catalog:	BB033958
Product Name:	6-Amino-8-bromo-9H-purine
CAS:	6974-78-3
Synonyms:	8-bromo-7H-purin-6-amine; 8-bromo-7H-purin-6-amine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	8-bromo-7H-purin-6-amine
Description:	8-Bromoadenine injected into mice before exposure to irradiation increased the radiosensitivity of bone marrow hemopoietic stem cells.
Molecular Weight:	214.02
Molecular Formula:	C5H4BrN5
Canonical SMILES:	C1=NC2=C(C(=N1)N)NC(=N2)Br
InChI:	InChI=1S/C5H4BrN5/c6-5-10-2-3(7)8-1-9-4(2)11-5/h1H,(H3,7,8,9,10,11)
InChI Key:	FVXHPCVBOXMRJP-UHFFFAOYSA-N
Boiling Point:	497.5 ℃
Density:	2.14 g/cm³
Appearance:	Off-white to yellow powder
MDL:	MFCD00082518
LogP:	1.27880

Publication Number	Title	Priority Date
US-2021319851-A1	Oligonucleotide-based machine learning	20200403
WO-2021202938-A1	Oligonucleotide-based machine learning	20200403
WO-2021202977-A1	Pyrrolopyrimidine amines as complement inhibitors	20200403
WO-2021187392-A1	Heteronucleic acid containing morpholino nucleic acid	20200316
WO-2021183921-A1	A rapid diagnostic test for lamp	20200312

PMID	Publication Date	Title	Journal
21810929	20111101	8-Phenylthio-adenines stimulate the expression of steroid hydroxylases, Cav3.2 Ca²⁺ channels, and cortisol synthesis by a cAMP-independent mechanism	American journal of physiology. Endocrinology and metabolism
20976353	20110107	Synthesis of cyclic adenosine 5'-diphosphate ribose analogues: a C2'endo/syn 'southern' ribose conformation underlies activity at the sea urchin cADPR receptor	Organic & biomolecular chemistry
19282184	20090401	8-Bromo-9-alkyl adenine derivatives as tools for developing new adenosine A2A and A2B receptors ligands	Bioorganic & medicinal chemistry
18404448	20070901	[(3)H]Adenine is a suitable radioligand for the labeling of G protein-coupled adenine receptors but shows high affinity to bacterial contaminations in buffer solutions	Purinergic signalling
16823787	20061010	Chemical radiation studies of 8-bromo-2'-deoxyinosine and 8-bromoinosine in aqueous solutions	Chemistry (Weinheim an der Bergstrasse, Germany)

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	212.96501
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	212.96501
Rotatable Bond Count:	0
Topological Polar Surface Area:	80.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8