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SML3046

Sigma-Aldrich

Saxagliptin hydrate

≥98% (HPLC)

Synonym(s):

(S)-3-Hydroxyadamantylglycine-L-cis-4,5-methanoprolinenitrile hydrate, BMS 477118, BMS 477118-11, BMS-477118, BMS-477118-11, BMS477118, BMS477118-11

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About This Item

Empirical Formula (Hill Notation):
C18H25N3O2 · H2O
CAS Number:
945667-22-1
Molecular Weight:
333.43
UNSPSC Code:
12352200
NACRES:
NA.77

Quality Level

100

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

−20°C

SMILES string

OC12CC([C@@H](C(N3[C@@H](C[C@]4([C@@]3(C4)[H])[H])C#N)=O)N)(CC(C5)C2)CC5C1.O

InChI

1S/C18H25N3O2.H2O/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17;/h10-15,23H,1-7,9,20H2;1H2/t10?,11?,12-,13+,14+,15-,17?,18?;/m1./s1

InChI key

AFNTWHMDBNQQPX-NHKADLRUSA-N

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Biochem/physiol Actions

Saxagliptin (BMS-477118) is an orally active, highly potent and long-acting dipeptidyl peptidase IV inhibitor (human DPP-IV Ki = 0.9 nM; plasma DDP-IV inhibition = 87% 0.5-4h post 4 μmol/kg po. in normal rats) with therapeutic efficacy against type 2 diabetes in vivo (plasma glucose clearance = 28/43/61% post 0.3/1.0/3.0 μmol/kg po. in Zucker fa/fa rats).

pictograms

Health hazard
GHS08

signalword

Danger

Hazard Classifications

Repr. 2 - Resp. Sens. 1 - Skin Sens. 1 - STOT RE 1

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Certificates of Analysis (COA)

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