sacibertinib - Moligand™ , CAS No.1351941-69-9

CAS: 1351941-69-9 Cat. No.: S613392 PubChem CID: 89496273

GRADE & PURITY Moligand™

Synonyms

(2E)-N-[(1(3)S)-5(3)-chloro-3(3)-cyano-2,6-dioxa-4-aza-3(7,4)-quinolina-8(2)-pyridina-1(3)-oxolana-5(1,4)-benzenaoctaphan-3-yl]-4-(dimethylamino)but-2-enamide | Sacibertinib [INN] | Example 161 [WO2011153942A1] | UNII-K9S2RGS5TK | 2-Butenamide, N-(4-((3-c

Storage

Room temperature

Specifications

Synonyms

(2E)-N-[(1(3)S)-5(3)-chloro-3(3)-cyano-2,6-dioxa-4-aza-3(7,4)-quinolina-8(2)-pyridina-1(3)-oxolana-5(1,4)-benzenaoctaphan-3-yl]-4-(dimethylamino)but-2-enamide | Sacibertinib [INN] | Example 161 [WO2011153942A1] | UNII-K9S2RGS5TK | 2-Butenamide, N-(4-((3-c

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Names and Identifiers

• Canonical Smiles: [C@@H]1(CCOC1)Oc1cc2ncc(C#N)c(Nc3ccc(OCc4ncccc4)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C)C
• IUPAC Name: (E)-N-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-3-cyano-7-[(3S)-oxolan-3-yl]oxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
• InChIKey: ZGYIXVSQHOKQRZ-COIATFDQSA-N
• INCHI: 1S/C32H31ClN6O4/c1-39(2)12-5-7-31(40)38-28-15-25-27(16-30(28)43-24-10-13-41-20-24)36-18-21(17-34)32(25)37-22-8-9-29(26(33)14-22)42-19-23-6-3-4-11-35-23/h3-9,11,14-16,18,24H,10,12-13,19-20H2,1-2H3,(H,36,37)(H,38,40)/b7-5+/t24-/m0/s1
• Isomeric SMILES: CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)O[C@H]5CCOC5
• PubChem CID: 89496273

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-aminoquinolines
• Alternative Parents: Aminophenyl ethers Phenoxy compounds Aniline and substituted anilines N-arylamides Alkyl aryl ethers Aminopyridines and derivatives Chlorobenzenes Primary aromatic amines Aryl chlorides Oxolanes Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Oxacyclic compounds Nitriles Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Aminophenyl ether - Phenoxy compound - Phenol ether - Aniline or substituted anilines - N-arylamide - Alkyl aryl ether - Aminopyridine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Primary aromatic amine - Pyridine - Heteroaromatic compound - Oxolane - Tertiary amine - Tertiary aliphatic amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Secondary amine - Carboxylic acid derivative - Nitrile - Carbonitrile - Oxacycle - Ether - Dialkyl ether - Amine - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
• 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

Frequently Asked 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 1351941-69-9. InChIKey ZGYIXVSQHOKQRZ-COIATFDQSA-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.