JNJ 10191584 maleate (VUF 6002) - ≥99% , CAS No.869497-75-6

CAS: 869497-75-6 Cat. No.: J275534 Molecular Weight: 394.81 EC Number: 663-130-2 PubChem CID: 11718163

GRADE & PURITY ≥99%

Synonyms

C13H15ClN4O.C4H4O4 | HMS3413M16 | HB1596 | JNJ10191584 (maleate) | SCHEMBL602941 | JNJ 10191584 maleate salt | HMS3677M16 | (6-Chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone Maleate | JNJ 10191584 maleate salt, >=98% (HPLC) | (6-Chloro-1H-

Storage

Room temperature,Desiccated

Shipped In

Normal

Overview

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

Application：

A highly selective histamine H4 receptor silent antagonist

Specifications

Synonyms

C13H15ClN4O.C4H4O4 | HMS3413M16 | HB1596 | JNJ10191584 (maleate) | SCHEMBL602941 | JNJ 10191584 maleate salt | HMS3677M16 | (6-Chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone Maleate | JNJ 10191584 maleate salt, >=98% (HPLC) | (6-Chloro-1H-

Specifications & Purity

≥99%

Storage

Room temperature, Desiccated

Shipped In

Normal

Action Type

ANTAGONIST

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

≥99%

Names and Identifiers

• Pubchem Sid: 488197678
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488197678
• Canonical Smiles: CN1CCN(CC1)C(=O)C2=NC3=C(N2)C=C(C=C3)Cl.C(=CC(=O)O)C(=O)O
• IUPAC Name: (Z)-but-2-enedioic acid;(6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone
• InChIKey: KOTJFAYEELTYCZ-BTJKTKAUSA-N
• INCHI: 1S/C13H15ClN4O.C4H4O4/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12;5-3(6)1-2-4(7)8/h2-3,8H,4-7H2,1H3,(H,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1-
• Isomeric SMILES: CN1CCN(CC1)C(=O)C2=NC3=C(N2)C=C(C=C3)Cl.C(=C\C(=O)O)\C(=O)O
• PubChem CID: 11718163
• Molecular Weight: 394.81

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: 2-heteroaryl carboxamides N-methylpiperazines Unsaturated fatty acids Aryl chlorides Benzenoids Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Imidazoles Amino acids and derivatives Trialkylamines Carboxylic acids Azacyclic compounds Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Benzimidazole - 2-heteroaryl carboxamide - N-methylpiperazine - N-alkylpiperazine - Piperazine - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Aryl chloride - 1,4-diazinane - Fatty acyl - Fatty acid - Benzenoid - Aryl halide - Imidazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Azole - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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)

ALOX15 Tchem Arachidonate 15-lipoxygenase (7108 Activities)

Discover Target: ALOX15

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 DMSO to 50 mM
• Molecular Weight: 394.800 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 394.104 Da
• Monoisotopic Mass: 394.104 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 465.000
• 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