8-Aminoadenine dihydrochloride

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H6N6.2ClH
Molecular Weight	223.063
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-Aminoadenine dihydrochloride

Structure Search

SMILES

Cl.Cl.NC1=NC2=NC=NC(N)=C2N1

InChI

InChIKey=RLDHAURDRDYWSA-UHFFFAOYSA-N

InChI=1S/C5H6N6.2ClH/c6-3-2-4(9-1-8-3)11-5(7)10-2;;/h1H,(H5,6,7,8,9,10,11);2*1H

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C5H6N6
Molecular Weight	150.1413
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Potency
Phosphatidylinositol 4-kinase, PI4K 8 Target ID: CHEMBL2096619 Sources: https://www.ncbi.nlm.nih.gov/pubmed/2165159	Inhibitor 8504
Mas-related G-protein coupled receptor member X3 2 Target ID: Q96LB0 Gene ID: 117195.0 Gene Symbol: MRGPRX3 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/19731917	Agonist 2752	34.1 nM [Ki]
UniProtKB - Q96LB0 (MRGX3_HUMAN) 2 Target ID: UniProtKB - Q96LB0 (MRGX3_HUMAN) Sources: https://www.ncbi.nlm.nih.gov/pubmed/19731917	Agonist 2752	6.51 µM [Ki]

PubMed

Title	Date	PubMed
Structure-activity relationships of adenine and deazaadenine derivatives as ligands for adenine receptors, a new purinergic receptor family.	2009-10-08	19731917

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:22:09 GMT 2025` Edited by `admin` on `Wed Apr 02 19:22:09 GMT 2025`
Record UNII	N6G8JNZ5E5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

8-Aminoadenine dihydrochloride

Systematic Name

English

1H-Purine-6,8-diamine, dihydrochloride

Preferred Name

English

9H-Purine-6,8-diamine, hydrochloride (1:2)

Systematic Name

English

3H-purine-6,8-diamine dihydrochloride

Systematic Name

English

Code System Code Type Description

FDA UNII

N6G8JNZ5E5

Created by admin on Wed Apr 02 19:22:09 GMT 2025 , Edited by admin on Wed Apr 02 19:22:09 GMT 2025

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CAS

127820-34-2

Created by admin on Wed Apr 02 19:22:09 GMT 2025 , Edited by admin on Wed Apr 02 19:22:09 GMT 2025

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PUBCHEM

45264504

Created by admin on Wed Apr 02 19:22:09 GMT 2025 , Edited by admin on Wed Apr 02 19:22:09 GMT 2025

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Related Record Type Details


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8-Aminoadenine

PARENT -> SALT/SOLVATE

Amount: