U 99194 maleate (PNU 99194) - ≥98% , CAS No.234757-41-6

CAS: 234757-41-6 Cat. No.: U274970 Molecular Weight: 393.48

GRADE & PURITY ≥98%

Synonyms

Jurnista | U-99194 maleate salt, >=98% (HPLC), solid | 5,6-Dimethoxy-2-(di-n-propylamino)indan maleate salt | NCGC00094454-01 | NCGC00261892-01 | 1217227-99-0 | HYDROXYSTILBAMIDINE [WHO-DD] | U-99194 maleate | MLS000862199 | U-99194A maleate | Loracarbef

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Store at Room Temperature. The product can be stored for up to 12 months.

Specifications

Synonyms

Jurnista | U-99194 maleate salt, >=98% (HPLC), solid | 5, 6-Dimethoxy-2-(di-n-propylamino)indan maleate salt | NCGC00094454-01 | NCGC00261892-01 | 1217227-99-0 | HYDROXYSTILBAMIDINE [WHO-DD] | U-99194 maleate | MLS000862199 | U-99194A maleate | Loracarbef

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Potent and selective D 3 antagonist (K i values are 160, 2281 and >10000 nM for hD 3 , D 2 and D 4 receptors, respectively).

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504766833
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766833
• Canonical Smiles: CCCN(CCC)C1CC2=CC(=C(C=C2C1)OC)OC.C(=CC(=O)O)C(=O)O
• IUPAC Name: (Z)-but-2-enedioic acid;5,6-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine
• InChIKey: FSIQDESGRQTFNN-BTJKTKAUSA-N
• INCHI: 1S/C17H27NO2.C4H4O4/c1-5-7-18(8-6-2)15-9-13-11-16(19-3)17(20-4)12-14(13)10-15;5-3(6)1-2-4(7)8/h11-12,15H,5-10H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
• Isomeric SMILES: CCCN(CCC)C1CC2=CC(=C(C=C2C1)OC)OC.C(=C\C(=O)O)\C(=O)O
• Alternate CAS: 82668-33-5
• Molecular Weight: 393.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Indanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Indanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanes
• Alternative Parents: Anisoles Aralkylamines Alkyl aryl ethers Unsaturated fatty acids Dicarboxylic acids and derivatives Trialkylamines Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Indane - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Unsaturated fatty acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Ether - Organic oxygen compound - Organic oxide - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indanes. These are compounds containing an indane moiety, which consists of a cyclopentane fused to a benzene ring.
• External Descriptors: Not available

Data sources

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

Associated Targets(Human)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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

BLM Tchem Bloom syndrome protein (4248 Activities)

Discover Target: BLM

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

RAPGEF3 Tchem Rap guanine nucleotide exchange factor 3 (15528 Activities)

Discover Target: RAPGEF3

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

RAN Tchem GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 (21853 Activities)

Discover Target: RAN

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water to 25 mM
• Melt Point(°C): 146-147°C
• Molecular Weight: 393.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 393.215 Da
• Monoisotopic Mass: 393.215 Da
• Topological Polar Surface Area: 96.300 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 377.000
• 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: 2

XLogP3