Teneligliptin HBr - 10mM in DMSO , CAS No.906093-29-6

CAS: 906093-29-6 Cat. No.: T426855 Formula: C₄₄H₆₅Br₅N₁₂O₂S₂ Peso molecolare: 1257.72 PubChem CID: 11996485

GRADE & PURITY 10mM in DMSO

Synonyms

906093-29-6|Teneligliptin HBr|Teneligliptin hydrobromide|Teneligliptin hydrobromide anhydrous|MP-513 (hydrobromide)|556RZT8JPF|906093-29-6 (HBr)|Methanone, ((2S,4S)-4-(4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-piperazinyl)-2-pyrrolidinyl)-3-thiazolidinyl-,

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinonimi

906093-29-6 | Teneligliptin HBr | Teneligliptin hydrobromide | Teneligliptin hydrobromide anhydrous | MP-513 (hydrobromide) | 556RZT8JPF | 906093-29-6 (HBr) | Methanone, ((2S,4S)-4-(4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-piperazinyl)-2-pyrrolidinyl)-3-thiazolidinyl-,

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

• Pubchem Sid: 528773193
• Sorrisi canonici: CC1=NN(C(=C1)N2CCN(CC2)C3CC(NC3)C(=O)N4CCSC4)C5=CC=CC=C5.CC1=NN(C(=C1)N2CCN(CC2)C3CC(NC3)C(=O)N4CCSC4)C5=CC=CC=C5.Br.Br.Br.Br.Br
• IUPAC Name: [(2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;pentahydrobromide
• InChIKey: LUXIOMHUGCXFIU-MAYGPZJUSA-N
• INCHI: 1S/2C22H30N6OS.5BrH/c2*1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27;;;;;/h2*2-6,13,19-20,23H,7-12,14-16H2,1H3;5*1H/t2*19-,20-;;;;;/m00...../s1
• Isomeri SMILES: CC1=NN(C(=C1)N2CCN(CC2)[C@H]3C[C@H](NC3)C(=O)N4CCSC4)C5=CC=CC=C5.CC1=NN(C(=C1)N2CCN(CC2)[C@H]3C[C@H](NC3)C(=O)N4CCSC4)C5=CC=CC=C5.Br.Br.Br.Br.Br
• CAS alternativo: 906093-29-6
• PubChem CID: 11996485
• Peso molecolare: 1257.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: N-arylpiperazines Phenylpyrazoles Dialkylarylamines Pyrrolidinecarboxamides N-alkylpiperazines Benzene and substituted derivatives Heteroaromatic compounds Tertiary carboxylic acid amides Thiazolidines Trialkylamines Thiohemiaminal derivatives Dialkylthioethers Azacyclic compounds Dialkylamines Organic oxides Hydrocarbon derivatives Hydrobromides Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Alpha-amino acid amide - N-arylpiperazine - Phenylpyrazole - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - Dialkylarylamine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Thiazolidine - Pyrazole - Heteroaromatic compound - Azole - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Secondary amine - Organonitrogen compound - Amine - Organic nitrogen compound - Organooxygen compound - Hydrobromide - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 1257.700 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 1256.07 Da
• Monoisotopic Mass: 1252.07 Da
• Topological Polar Surface Area: 164.000 Ų
• Heavy Atom Count: 65
• Formal Charge: 0
• Complexity: 594.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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: 7

XLogP3