Teneligliptin hydrobromide hydrate - ≥98% , CAS No.1572583-29-9

CAS: 1572583-29-9 Cat. No.: T465339 Formula: C₄₄H₆₅Br5N₁₂O₂S₂·xH₂O Peso molecolare: 1257.72（dried substance） Numero EC: 992-024-1 PubChem CID: 53297474

GRADE & PURITY ≥98%

Synonyms

15S4OCS6SS | Teneligliptin (hydrobromide hydrate) | TENELIGLIPTIN HYDROBROMIDE HYDRATE [WHO-DD] | TeneligliptinHydrobromideHydrate | Teneligliptin hydrobromide hydrate | D09756 | Methanone, ((2S,4S)-4-(4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-piperazinyl)-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

15S4OCS6SS | Teneligliptin (hydrobromide hydrate) | TENELIGLIPTIN HYDROBROMIDE HYDRATE [WHO-DD] | TeneligliptinHydrobromideHydrate | Teneligliptin hydrobromide hydrate | D09756 | Methanone, ((2S,4S)-4-(4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)-1-piperazinyl)-

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

In human umbilical vein endothelial cells, Teneligliptin promotes antioxidant responses, reduces ROS levels, and induces Nrf2 target gene messenger RNA expression. In HUVEC exposed to high glucose, Teneligliptin increased the proliferation rate, modulated

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504771133

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771133

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.O.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;hydrate;pentahydrobromide

InChIKey

NQPRXLXVOBOTGT-KSLCDFCZSA-N

INCHI

1S/2C22H30N6OS.5BrH.H2O/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;1H2/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.O.Br.Br.Br.Br.Br

PubChem CID

53297474

Peso molecolare

1257.72（dried substance）

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 Organopnictogen compounds Organic oxides Hydrocarbon derivatives Hydrobromides Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Alpha-amino acid amide - N-arylpiperazine - Phenylpyrazole - Pyrrolidine-2-carboxamide - Dialkylarylamine - Pyrrolidine carboxylic acid or derivatives - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Thiazolidine - Pyrrolidine - Pyrazole - Heteroaromatic compound - Azole - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Secondary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Hydrobromide - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - 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

• Solubilità: DMF: 30 mg/ml,DMSO: 30 mg/ml,Ethanol: 2 mg/ml,PBS (pH 7.2): 10 mg/ml
• Peso molecolare: 1275.700 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 8
• Exact Mass: 1274.08 Da
• Monoisotopic Mass: 1270.08 Da
• Topological Polar Surface Area: 165.000 Ų
• Heavy Atom Count: 66
• 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: 8

XLogP3

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 1572583-29-9, the molecular formula is C44H65Br5N12O2S2·xH2O, and the molecular weight is 1257.72（dried substance） g/mol. InChIKey NQPRXLXVOBOTGT-KSLCDFCZSA-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.