MMV019313 - Moligand™ , CAS No.902630-14-2

CAS: 902630-14-2 Cat. No.: M611967 PubChem CID: 20857481

GRADE & PURITY Moligand™

Synonyms

TCMDC-123889

Storage

Room temperature

Specifications

Synonymes

TCMDC-123889

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

INHIBITOR

Noms et identifiants

Sourires canoniques

O=C(c1cc2c(s1)c1ccccc1n(c2=O)C)NCCCN1CCCCCC1

IUPAC Name

N-[3-(azepan-1-yl)propyl]-5-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide

InChIKey

NVFMMXVDSJFVNO-UHFFFAOYSA-N

INCHI

1S/C22H27N3O2S/c1-24-18-10-5-4-9-16(18)20-17(22(24)27)15-19(28-20)21(26)23-11-8-14-25-12-6-2-3-7-13-25/h4-5,9-10,15H,2-3,6-8,11-14H2,1H3,(H,23,26)

Isomères SMILES

CN1C2=CC=CC=C2C3=C(C1=O)C=C(S3)C(=O)NCCCN4CCCCCC4

PubChem CID

20857481

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienoquinolines
• Alternative Parents: Hydroquinolones Hydroquinolines Thienopyridines 2,3,5-trisubstituted thiophenes Thiophene carboxamides 2-heteroaryl carboxamides Azepanes Pyridinones Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Amino acids and derivatives Lactams Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienoquinoline - Dihydroquinolone - Dihydroquinoline - Thienopyridine - 2-heteroaryl carboxamide - 2,3,5-trisubstituted thiophene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Azepane - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Lactam - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as thienoquinolines. These are heterocyclic compounds containing a thiophene ring fused to a quinoline. Quinoline or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine.
• 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

Cibles associées (humaines)

FDPS Tclin Farnesyl diphosphate synthase (1240 Activities)

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KCNH2 Tclin HERG (29587 Activities)

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GGPS1 Tchem Geranylgeranyl pyrophosphate synthetase (715 Activities)

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SLC2A1 Tchem Glucose transporter (14755 Activities)

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A498 (42825 Activities)

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ACHN (49357 Activities)

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CAKI-1 (44928 Activities)

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CCRF-CEM (65223 Activities)

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COLO 205 (50209 Activities)

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DU-145 (51482 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MCF7 (126967 Activities)

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MDA-MB-468 (9477 Activities)

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MOLT-4 (49676 Activities)

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MRC5 (9203 Activities)

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OVCAR-3 (48710 Activities)

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OVCAR-5 (45555 Activities)

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OVCAR-8 (47708 Activities)

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PC-3 (62116 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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SK-MEL-2 (46422 Activities)

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SK-MEL-28 (48833 Activities)

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SK-MEL-5 (47095 Activities)

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SK-OV-3 (52876 Activities)

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SN12C (47755 Activities)

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SNB-19 (46794 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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786-0 (47912 Activities)

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NCI/ADR-RES (33767 Activities)

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NCI-H322M (45589 Activities)

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HCT-116 (91556 Activities)

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HOP-92 (41141 Activities)

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HepG2 (196354 Activities)

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NCI-H460 (60772 Activities)

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SF-268 (49410 Activities)

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IGROV-1 (47897 Activities)

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HOP-62 (47048 Activities)

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MDA-MB-435 (38290 Activities)

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Malme-3M (44254 Activities)

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SNB-75 (44215 Activities)

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NCI-H23 (49055 Activities)

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NCI-H522 (44358 Activities)

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BT-549 (31254 Activities)

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SF-539 (44845 Activities)

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Cibles associées (non humaines)

Cruzipain (33337 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Leishmania infantum (5912 Activities)

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Trypanosoma brucei brucei (13300 Activities)

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Entamoeba histolytica (2676 Activities)

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Cryptosporidium parvum (1150 Activities)

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Plasmodium falciparum (966862 Activities)

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Trypanosoma cruzi (99888 Activities)

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Toxoplasma gondii (4585 Activities)

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Plasmodium berghei (192651 Activities)

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Schistosoma mansoni (6170 Activities)

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Human immunodeficiency virus 1 (70413 Activities)

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Trypanosoma brucei rhodesiense (7991 Activities)

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rhodesain Rhodesain (1463 Activities)

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ht1 Hexose transporter 1 (14071 Activities)

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pk7 Putative uncharacterized protein pk7 (469 Activities)

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CDPK1 Calcium-dependent protein kinase 1 (793 Activities)

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Onchocerca lienalis (1836 Activities)

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CDPK4 Calcium-dependent protein kinase 4 (464 Activities)

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PK6 Cdk-related protein kinase 6 (400 Activities)

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map-2 Mitogen-activated protein kinase (400 Activities)

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proRS Proline--tRNA ligase (401 Activities)

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Lysine--tRNA ligase (69390 Activities)

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Mécanismes d'action

Foire aux questions

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 902630-14-2. InChIKey NVFMMXVDSJFVNO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.