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Teneligliptin Hydrobromide Hydrate

CAT: 1568-C03371-1gSize: 1 gDry Ice: NoHazardous: No
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CAT#:1568-C03371-1gSize:1 g
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CAS Number
1572583-29-9
Synonyms
MP-513 hydrobromide hydrate
Target
DPP
Applications
Metabolism
Molecular Formula
C22H30N6OS.5/2BrH.xH2O
Additionnal Information
Teneligliptin Hydrobromide Hydrate (MP-513 hydrobromide hydrate) is a potent, competitive, and long-lasting inhibitor of DPP-4. It competitively inhibited rhDPP-4, human plasma, and rat plasma with IC50 values of 0.889, 1.75, and 1.35 nM respectively. It suppresses high glucose-mediated mitochondrial dysfunction and can be used for treatment of type 2 diabetes.

Chemical Information

Teneligliptin Hydrobromide Hydrate
CAS Number1572583-29-9
PubChem CID53297474
IUPAC Namebis([(2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone);hydrate;pentahydrobromide
Molecular FormulaC44H67Br5N12O3S2
Molecular Weight1275.7
Topological Polar Surface Area165
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Heavy Atom Count66
Formal Charge0
Complexity594
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
InChI
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
InChIKey
NQPRXLXVOBOTGT-KSLCDFCZSA-N
Chemical Structure
2D Structure
2D structure of Teneligliptin Hydrobromide Hydrate
CAS: 1572583-29-9
CID: 53297474
Formula: C44H67Br5N12O3S2
MW: 1275.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1275.7
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count13
Rotatable Bond Count8
Exact Mass1274.07764
Monoisotopic Mass1270.08174
Topological Polar Surface Area165 Ų
Heavy Atom Count66
Formal Charge0
Complexity594
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count8
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
E4814-1gTeneligliptin Hydrobromide Hydrate
HY-14806B-01Teneligliptin (hydrobromide hydrate)
A21465-100Teneligliptin hydrobromide hydrate 100mg
A21465-250Teneligliptin hydrobromide hydrate 250mg
A21465-50Teneligliptin hydrobromide hydrate 50mg
A21465-25Teneligliptin hydrobromide hydrate 25mg
A21465-5Teneligliptin hydrobromide hydrate 5mg
A21465-10Teneligliptin hydrobromide hydrate 10mg
A3865-5.1Teneligliptin hydrobromide
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