Amodiaquin dihydrochloride dihydrate - 10mM in DMSO , Ferriprotoporphyrin IX inhibitor, CAS No.6398-98-7, Ferriprotoporphyrin IX inhibitor

CAS: 6398-98-7 Cat. No.: A425246 Molecular Weight: 464.81 EC Number: 642-210-0 PubChem CID: 64646
AVAILABLE TO ORDER
GRADE & PURITY 10mM in DMSO
Synonyms
AMODIAQUINI HYDROCHLORIDUM [WHO-IP LATIN] | HY-B1322 | NCGC00017063-01 | NSC 755863 | SN 10751 | Tox21_110765 | NSC-755863 | 6398-98-7 (HCl hydrate) | AMODIAQUINE HYDROCHLORIDE [ORANGE BOOK] | Amodiaquini hydrochloridum | Amodiaquin HCl hydrate | Amodiaqu
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
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Size
Status
Price
Qty
1ml
A425246-1ml
2

$117.90

$172.90
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
AMODIAQUINI HYDROCHLORIDUM [WHO-IP LATIN] | HY-B1322 | NCGC00017063-01 | NSC 755863 | SN 10751 | Tox21_110765 | NSC-755863 | 6398-98-7 (HCl hydrate) | AMODIAQUINE HYDROCHLORIDE [ORANGE BOOK] | Amodiaquini hydrochloridum | Amodiaquin HCl hydrate | Amodiaqu
Specifications & Purity
10mM in DMSO
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Mechanism of action
Ferriprotoporphyrin IX inhibitor
Names and Identifiers
Canonical SmilesCCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.O.O.Cl.Cl
IUPAC Name4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;dihydrate;dihydrochloride
InChIKeyYVNAYSHNIILOJS-UHFFFAOYSA-N
INCHI1S/C20H22ClN3O.2ClH.2H2O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;;;;/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);2*1H;2*1H2
Isomeric SMILES CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.O.O.Cl.Cl
PubChem CID 64646
Molecular Weight 464.81

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassQuinolines and derivatives
SubclassAminoquinolines and derivatives
Intermediate Tree Nodes Not available
Direct Parent4-aminoquinolines
Alternative Parents Chloroquinolines  p-Aminophenols  Phenylmethylamines  Aniline and substituted anilines  Benzylamines  1-hydroxy-2-unsubstituted benzenoids  Aminopyridines and derivatives  Aralkylamines  Aryl chlorides  Heteroaromatic compounds  Trialkylamines  Secondary amines  Azacyclic compounds  Hydrocarbon derivatives  Hydrochlorides  Organic oxides  Organochlorides  Organooxygen compounds  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 4-aminoquinoline - Haloquinoline - Chloroquinoline - Aminophenol - P-aminophenol - Phenylmethylamine - Benzylamine - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Aminopyridine - Aralkylamine - Phenol - Pyridine - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl chloride - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
External Descriptors hydrochloride
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PMP22 Tbio Peripheral myelin protein 22 (699 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight464.800 g/mol
XLogP3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass463.12 Da
Monoisotopic Mass463.12 Da
Topological Polar Surface Area50.400 Ų
Heavy Atom Count29
Formal Charge0
Complexity406.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count5
Citations of This Product
References
1. Ying Pan, Qiongjie Ding, Baohong Li, Xiaoxiong Wang, Yiwei Liu, Junhao Chen, Fei Ke, Jianqiang Liu.  (2020)  Self-adjusted bimetallic zeolitic-imidazolate framework-derived hierarchical magnetic carbon composites as efficient adsorbent for optimizing drug contaminant removal.  CHEMOSPHERE,      [PMID:33297097] [10.1016/j.chemosphere.2020.128101]
Solution Calculators
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