LMP744 hydrochloride - ≥99% , CAS No.308246-57-3

Name: LMP744 hydrochloride - ≥99% , CAS No.308246-57-3
Brand: Aladdin Scientific
SKU: L649289
Availability: InStock

CAS: 308246-57-3 Cat. No.: L649289 Molecular Weight: 488.92 PubChem CID: 397887

COA

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LMP744 hydrochloride - ≥99% CAS No(308246-57-3) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥99%

Synonyms

NSC706744 | AKOS040733617 | 6-(3-((2-hydroxyethyl)amino)propyl)-2,3-dimethoxy-5H-[1,3]dioxolo[4',5':5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione hydrochloride | 308246-57-3 (HCl) | 5H-(1,3)DIOXOLO(5,6)INDENO(1,2-C)ISOQUINOLINE-5,12(6H)-DIONE, 6-(3-((2-HYD

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C,Desiccated Ships Wet ice 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

LMP744 hydrochloride (MJ-III65 hydrochloride) is a DNA intercalator and Topoisomerase I (Top1) inhibitor with antitumor activity

In Vitro

The GI 50 value of LMP744 (MJ-III-65) for NCI60 cells is 0.1 μM. LMP744 (0.1-5 μM, 3 days) induces dose-dependent accumulation of cells in the S and G 2 phases of the cell cycle. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Cytotoxicity AssayCell Line: P388 and P388 Top1-deficient murine leukemia cells. Concentration: 0.1-100 μM Incubation Time: 3 days Result: Induced dose-dependent accumulation of cells in the S and G 2 phases of the cell cycle.

In Vivo

LMP744 (MJ-III-65) (10-50 mg/kg) administered i.v. push once a week for 4 weeks in nude mice moderately actives against human A253 and FaDu tumor xenografts without significant toxicity . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Athymic nude mice (nu/nu, female, 20-25 g, 8-12 weeks old) transplanted with A253 and FaDu human head and neck xenografts . Dosage: 10, 25, or 50 mg/kg/week, 4 weeks Administration: I.V. push via tail vein Result: Moderately actived against human A253 and FaDu tumor xenografts without significant toxicity.

Form:Solid

IC50& Target:Top1

Specifications

Synonyms

NSC706744 | AKOS040733617 | 6-(3-((2-hydroxyethyl)amino)propyl)-2, 3-dimethoxy-5H-[1, 3]dioxolo[4', 5':5, 6]indeno[1, 2-c]isoquinoline-5, 12(6H)-dione hydrochloride | 308246-57-3 (HCl) | 5H-(1, 3)DIOXOLO(5, 6)INDENO(1, 2-C)ISOQUINOLINE-5, 12(6H)-DIONE, 6-(3-((2-HYD

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

LMP744 hydrochloride (MJ-III65 hydrochloride) is a DNA intercalator and Topoisomerase I (Top1) inhibitor with antitumor activity.

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

Canonical Smiles	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCO)OC.Cl
IUPAC Name	20-[3-(2-hydroxyethylamino)propyl]-15,16-dimethoxy-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione;hydrochloride
InChIKey	POXWLZDVWCKKEX-UHFFFAOYSA-N
INCHI	1S/C24H24N2O7.ClH/c1-30-17-8-13-16(11-18(17)31-2)24(29)26(6-3-4-25-5-7-27)22-14-9-19-20(33-12-32-19)10-15(14)23(28)21(13)22;/h8-11,25,27H,3-7,12H2,1-2H3;1H
Isomeric SMILES	COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCO)OC.Cl
Alternate CAS	308246-57-3
PubChem CID	397887
NSC Number	706744
MeSH Entry Terms	6-(3-(2-hydroxyethyl)amino-1-propyl)-5,6-dihydro-2,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno(1,2-)isoquinoline;MJ-III-65;NSC 706744;NSC-706744;NSC706744;uglysy8 cpd
Molecular Weight	488.92

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

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Isoquinolines and derivatives
    - Subclass Isoquinolones and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Isoquinolines and derivatives
Subclass	Isoquinolones and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Isoquinolones and derivatives
Alternative Parents	Benzodioxoles Anisoles Aryl ketones Pyridinones Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds 1,2-aminoalcohols Lactams Oxacyclic compounds Acetals Dialkylamines Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organopnictogen compounds Primary alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoquinolone - Benzodioxole - Anisole - Aryl ketone - Alkyl aryl ether - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - 1,2-aminoalcohol - Ketone - Lactam - Acetal - Alkanolamine - Secondary aliphatic amine - Ether - Oxacycle - Azacycle - Secondary amine - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Organic oxide - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrochloride - Organopnictogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

TOP1 Tclin DNA topoisomerase I (7553 Activities)

Discover Target: TOP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Solubility	DMSO : 105 mg/mL (214.76 mM; Need ultrasonic)
Molecular Weight	488.900 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	488.135 Da
Monoisotopic Mass	488.135 Da
Topological Polar Surface Area	107.000 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	802.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2