Remodelin - Moligand™, ≥99%(HPLC) , CAS No.949912-58-7

CAS: 949912-58-7 Cat. No.: R288492 Summenformel: C₁₅H₁₄N₄S Molekulargewicht: 282.36 EG-Nummer: 809-806-4 PubChem CID: 44442376

GRADE & PURITY Moligand™, ≥99%(HPLC)

Synonyms

4-[2-(2-CYCLOPENTYLIDENEHYDRAZIN-1-YL)-1,3-THIAZOL-4-YL]BENZONITRILE | BCP11087 | NCGC00384186-14 | A900145 | GTPL8102 | SCHEMBL17144586 | BDBM50326653 | Remodelin | 4-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile | EX-A1315 | ZMB91258 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Product description：

Remodelin is an effective and specific inhibitor of the acetyl-transferase protein NAT10.

Specifications

Synonyme

4-[2-(2-CYCLOPENTYLIDENEHYDRAZIN-1-YL)-1,3-THIAZOL-4-YL]BENZONITRILE | BCP11087 | NCGC00384186-14 | A900145 | GTPL8102 | SCHEMBL17144586 | BDBM50326653 | Remodelin | 4-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile | EX-A1315 | ZMB91258 |

Spezifikationen & Reinheit

Moligand™, ≥99%(HPLC)

Biochemische und physiologische Mechanismen

N-acetyltransferase 10 (NAT10) inhibitor. Improves nuclear shape in HGPS (Hutchinson-Gilford progeria syndrome) cells and lamin A/C depleted cells.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Reinheit

≥99%(HPLC)

Namen und Kennungen

• Pubchem Sid: 528766942
• Kanonisches Lächeln: C1CCC(=NNC2=NC(=CS2)C3=CC=C(C=C3)C#N)C1
• IUPAC Name: 4-[2-(2-cyclopentylidenehydrazinyl)-1,3-thiazol-4-yl]benzonitrile
• InChIKey: XAEJIFARBQJLML-UHFFFAOYSA-N
• INCHI: 1S/C15H14N4S/c16-9-11-5-7-12(8-6-11)14-10-20-15(17-14)19-18-13-3-1-2-4-13/h5-8,10H,1-4H2,(H,17,19)
• Isomere SMILES: C1CCC(=NNC2=NC(=CS2)C3=CC=C(C=C3)C#N)C1
• Alternative CAS-Nummer: 949912-58-7
• PubChem CID: 44442376
• MeSH-Eintrag: 4-(4-cyanophenyl)-2-(2-cyclopentylidenehydrazinyl)thiazole;remodelin
• Molekulargewicht: 282.36

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzonitriles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: 2,4-disubstituted thiazoles Heteroaromatic compounds Nitriles Hydrazones Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzonitrile - 2,4-disubstituted 1,3-thiazole - Heteroaromatic compound - Thiazole - Azole - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Hydrazone - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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

Zugehörige Ziele (menschlich)

MAOB Tclin Amine oxidase [flavin-containing] B (2 Activities)

Discover Target: MAOB

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAOA Tclin Amine oxidase [flavin-containing] A (2 Activities)

Discover Target: MAOA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

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

MAOB Tclin Monoamine oxidase B (8835 Activities)

Discover Target: MAOB

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

NAT10 Tbio RNA cytidine acetyltransferase (254 Activities)

Discover Target: NAT10

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

Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Pichia kudriavzevii (7448 Activities)

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

Candida albicans (78123 Activities)

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

Nakaseomyces glabratus (9108 Activities)

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

Candida parapsilosis (8521 Activities)

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

Candida tropicalis (8381 Activities)

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

[Candida] sake (415 Activities)

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

TUBB2B Tubulin (2175 Activities)

Discover Target: TUBB2B

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 28.24, Max Conc. mM: 100
• Molekulargewicht: 282.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 282.094 Da
• Monoisotopic Mass: 282.094 Da
• Topological Polar Surface Area: 89.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 397.000
• 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: 1

Referenzen

1. Yunhong Zhang, Zhen Zhang, Xinkui Liu, Chu Chu, Xiaoyan Yu, Qiaoqiao Han, Wei Li, Tingting Zhang, Huiyan Zu, Nannan Fan, Ran Wei, Feifei Shi, Fang Li, Fei Xu, Bin Wang, Xia Li.  (2025)  NAT10-Mediated ac4C-Modification Exacerbates Ferroptosis by Stabilizing HMOX1 in Deep Vein Thrombosis.  ARTERIOSCLEROSIS THROMBOSIS AND VASCULAR BIOLOGY,      [PMID:41467352] [10.1161/ATVBAHA.125.323986]