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

COA

Grade & Purity:

10mM in DMSO

Cas Number: 906093-29-6
Molecular Weight: 1257.72
PubChem CID: 11996485

In stock

Item Number

T426855

Grouped product items
SKU	Size	Availability	Price	Qty
T426855-1ml	1ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$103.90

View related series

Amino Acid/Protein Metabolism (1836) Apoptosis (4276) Compound libraries (12325) DNA Methylation (216) Glucose Metabolism (1943)

Basic Description

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-,
Specifications & Purity	10mM in DMSO
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class 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
Class	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
Description	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
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

Names and Identifiers

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
INCHI	InChI=1S/2C22H30N6OS.5BrH/c21-17-13-21(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;;;;;/h22-6,13,19-20,23H,7-12,14-16H2,1H3;51H/t219-,20-;;;;;/m00...../s1
InChIKey	LUXIOMHUGCXFIU-MAYGPZJUSA-N
Smiles	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
Isomeric 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
Alternate CAS	906093-29-6
PubChem CID	11996485
Molecular Weight	1257.72

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	1257.700 g/mol
XLogP3
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 Å²
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

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