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AMG-222

CAT: 0804-HY-111150Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-111150Size:1 Each
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Description
AMG-222 is a dipeptidyl peptidase IV (DPP-IV) inhibitor that exerts its inhibitory effect by tightly and reversibly binding to DPPIV. AMG 222 binds to human plasma proteins in a saturable and concentration-dependent manner, with a binding rate of 80.8% at 1 nM, while the binding rate decreases to 29.4% at concentrations above 100 nM. AMG-222 can be used in research related to diabetes[1].
CAS Number
913978-37-7
UNSPSC
12352005
Target
Dipeptidyl Peptidase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/amg-222.html
Smiles
O=C(C1=CC=C(C(C2=NNN=N2)(C[C@@H](NCC(N3[C@H](C#N)CCC3)=O)C)C4=CC=C(C(N(C)C)=O)C=C4CC5)C5=C1)N(C)C
Molecular Formula
C32H39N9O3
Molecular Weight
597.71
References & Citations
[1]Greene R J, et al. Target-mediated metabolism and target-mediated drug disposition of the DPPIV inhibitor AMG 222[J]. Xenobiotica, 2011, 41 (11) : 945-957.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
DPP-4

Chemical Information

Amg-222
CAS Number913978-37-7
PubChem CID11977989
IUPAC Name2-[(2S)-2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]propyl]-6-N,6-N,13-N,13-N-tetramethyl-2-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide
Molecular FormulaC32H39N9O3
Molecular Weight597.7
XLogP2.3
Topological Polar Surface Area151
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count44
Formal Charge0
Complexity1060
SMILES
C[C@@H](CC1(C2=C(CCC3=C1C=CC(=C3)C(=O)N(C)C)C=C(C=C2)C(=O)N(C)C)C4=NNN=N4)NCC(=O)N5CCC[C@H]5C#N
InChI
InChI=1S/C32H39N9O3/c1-20(34-19-28(42)41-14-6-7-25(41)18-33)17-32(31-35-37-38-36-31)26-12-10-23(29(43)39(2)3)15-21(26)8-9-22-16-24(11-13-27(22)32)30(44)40(4)5/h10-13,15-16,20,25,34H,6-9,14,17,19H2,1-5H3,(H,35,36,37,38)/t20-,25-/m0/s1
InChIKey
NVSWJKWHLUTHLP-CPJSRVTESA-N
Chemical Structure
2D Structure
2D structure of Amg-222
CAS: 913978-37-7
CID: 11977989
Formula: C32H39N9O3
MW: 597.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight597.7
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass597.31758614
Monoisotopic Mass597.31758614
Topological Polar Surface Area151 Ų
Heavy Atom Count44
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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