JS-K - Moligand™,≥96% , CAS No.205432-12-8

Name: JS-K - Moligand™,≥96% , CAS No.205432-12-8
Brand: Aladdin Scientific
SKU: J331370
Availability: InStock

CAS: 205432-12-8 Cat. No.: J331370 Molecular Weight: 384.30

COA

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JS-K - ≥96% CAS No(205432-12-8) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY Moligand™ ? ≥96%

Synonyms

NCGC00165815-08 | SDCCGSBI-0633737.P001 | NCGC00164092-01 | JS-K, >=97% | NCGC00261300-01 | Tox21_500615 | 5-(3-Chinuclidinyl)-10,11-dihydro-5H-dibenz(b,f)azepin | CCG-221919 | JS-K | HMS3261L12 | HY-126193 | Osup2-(2,4-Dinitrophenyl) 1-[(4-Ethoxycarbonyl

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-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

Moligand™,≥96% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

📋

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

JS-K is an antiproliferative nitric oxide donor.

Specifications

Synonyms

NCGC00165815-08 | SDCCGSBI-0633737.P001 | NCGC00164092-01 | JS-K, >=97% | NCGC00261300-01 | Tox21_500615 | 5-(3-Chinuclidinyl)-10, 11-dihydro-5H-dibenz(b, f)azepin | CCG-221919 | JS-K | HMS3261L12 | HY-126193 | Osup2-(2, 4-Dinitrophenyl) 1-[(4-Ethoxycarbonyl

Specifications & Purity

Moligand™, ≥96%

Biochemical and Physiological Mechanisms

JS-K belongs to the class of diol diazenium prodrugs. When metabolized by glutathione S-transferase (GST), it produces nitric oxide, thus ensuring optimal activity of JS-K. It has been shown to inhibit tumor growth in human prostate cancer and leukemia. N

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

ACTIVATOR

Purity

≥96%

Names and Identifiers

Canonical Smiles	CCOC(=O)N1CCN(CC1)[N+](=NOC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]
IUPAC Name	(Z)-(2,4-dinitrophenoxy)imino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium
InChIKey	DNJRNBYZLPKSHV-RGEXLXHISA-N
INCHI	1S/C13H16N6O8/c1-2-26-13(20)15-5-7-16(8-6-15)19(25)14-27-12-4-3-10(17(21)22)9-11(12)18(23)24/h3-4,9H,2,5-8H2,1H3/b19-14-
Isomeric SMILES	CCOC(=O)N1CCN(CC1)/[N+](=N/OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/[O-]
WGK Germany	3
RTECS	TL1364200
Molecular Weight	384.30
Reaxy-Rn	18838877
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18838877&ln=

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 Diazinanes
    - Subclass Piperazines
      - Level5 Piperazine carboxylic acids and derivatives
        Level6 Piperazine carboxylic acids

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Piperazine carboxylic acids and derivatives
Direct Parent	Piperazine carboxylic acids
Alternative Parents	Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Carbamate esters Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Nitrobenzene - Piperazine-1-carboxylic acid - Phenoxy compound - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - C-nitro compound - Organic nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Carbonyl group - Organic salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups.
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)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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

DRD1 Tclin Dopamine D1 receptor (9720 Activities)

Discover Target: DRD1

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

GSTM1 Tbio Glutathione S-transferase Mu 1 (61 Activities)

Discover Target: GSTM1

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

GSTA1 Tchem Glutathione S-transferase A1 (120 Activities)

Discover Target: GSTA1

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

APP Tclin Amyloid-beta A4 protein (8510 Activities)

Discover Target: APP

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

ARSA Tbio Cerebroside-sulfatase (655 Activities)

Discover Target: ARSA

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

MAP2K4 Tchem Dual specificity mitogen-activated protein kinase kinase 4 (1051 Activities)

Discover Target: MAP2K4

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

MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)

Discover Target: MTOR

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

GSTP1 Tchem Glutathione S-transferase Pi (449 Activities)

Discover Target: GSTP1

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

BT-474 (2113 Activities)

Lot Number	Certificate Type	Date	Item
F2608430	Certificate of Analysis	Apr 17, 2026	J331370
F2608439	Certificate of Analysis	Apr 17, 2026	J331370
D2518360	Certificate of Analysis	Feb 10, 2025	J331370
D2518362	Certificate of Analysis	Feb 10, 2025	J331370
L2318166	Certificate of Analysis	Nov 21, 2023	J331370
L2318167	Certificate of Analysis	Nov 21, 2023	J331370
L2318168	Certificate of Analysis	Nov 21, 2023	J331370

Solubility	Soluble in 9.3 mg/ml DMSO
Sensitivity	moisture sensitive
Molecular Weight	384.300 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	5
Exact Mass	384.103 Da
Monoisotopic Mass	384.103 Da
Topological Polar Surface Area	175.000 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	582.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

JS-K - Moligand™,≥96% , CAS No.205432-12-8

Why this grade

Storage & shipping

Quality documents

Literature proof

Overview

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Customer Reviews

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