R116010 - Moligand™ , Inhibitor of CYP26A1, CAS No.201410-54-0, Inhibitor of CYP26A1

CAS: 201410-54-0 Cat. No.: R613060 PubChem CID: 44391783

GRADE & PURITY Moligand™

Synonyms

UNII-NIL6PST6V7 | NIL6PST6V7 | SCHEMBL14957704 | DTXSID401347437 | R116010 | R-116010 | N-{4-[(1S,2S)-2-(Dimethylamino)-1-(1H-imidazol-1-yl)propyl]phenyl}- 2-benzothiazolamine | 2-Benzothiazolamine, N-(4-((1S,2S)-2-(dimethylamino)-1-(1H-imidazol-1-yl)prop

Storage

Room temperature

Specifications

Synonyms

UNII-NIL6PST6V7 | NIL6PST6V7 | SCHEMBL14957704 | DTXSID401347437 | R116010 | R-116010 | N-{4-[(1S, 2S)-2-(Dimethylamino)-1-(1H-imidazol-1-yl)propyl]phenyl}- 2-benzothiazolamine | 2-Benzothiazolamine, N-(4-((1S, 2S)-2-(dimethylamino)-1-(1H-imidazol-1-yl)prop

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of CYP26A1

Names and Identifiers

• Canonical Smiles: C[C@@H]([C@@H](n1cncc1)c1ccc(cc1)Nc1nc2c(s1)cccc2)N(C)C
• IUPAC Name: N-[4-[(1S,2S)-2-(dimethylamino)-1-imidazol-1-ylpropyl]phenyl]-1,3-benzothiazol-2-amine
• InChIKey: WGVPSTQRQHGEEP-MGPUTAFESA-N
• INCHI: 1S/C21H23N5S/c1-15(25(2)3)20(26-13-12-22-14-26)16-8-10-17(11-9-16)23-21-24-18-6-4-5-7-19(18)27-21/h4-15,20H,1-3H3,(H,23,24)/t15-,20+/m0/s1
• Isomeric SMILES: C[C@@H]([C@H](C1=CC=C(C=C1)NC2=NC3=CC=CC=C3S2)N4C=CN=C4)N(C)C
• PubChem CID: 44391783

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Phenylpropanes Aniline and substituted anilines Aralkylamines N-substituted imidazoles 2-amino-1,3-thiazoles Heteroaromatic compounds Trialkylamines Secondary amines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Phenylpropane - Aniline or substituted anilines - Aralkylamine - Monocyclic benzene moiety - N-substituted imidazole - 1,3-thiazol-2-amine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Thiazole - Tertiary amine - Tertiary aliphatic amine - Azacycle - Secondary amine - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• 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)

CYP26A1 Tchem Cytochrome P450 26A1 (0 Activities)

Discover Target: CYP26A1

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