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ARRY-403

CAT: 0127-BUP03981-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03981-05Size:100 mg
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CAS Number
1138669-65-4
Synonyms
ARRY 403, AMG-151, ARRY403, AMG151, ARRY-403, AMG 151
Purity
=98%
Smiles
Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc(ns1)[C@H](O)CO

Chemical Information

Arry-403

a glucokinase activator; structure in first source

CAS Number1138669-65-4
PubChem CID25235269
IUPAC Name(1S)-1-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]ethane-1,2-diol
Molecular FormulaC20H18N6O3S2
Molecular Weight454.5
XLogP2.6
Topological Polar Surface Area180
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity553
SMILES
CC1=C(C=CC=N1)OC2=C(N=CC(=C2)SC3=CC=CC=N3)NC4=NC(=NS4)[C@@H](CO)O
InChI
InChI=1S/C20H18N6O3S2/c1-12-15(5-4-8-21-12)29-16-9-13(30-17-6-2-3-7-22-17)10-23-19(16)25-20-24-18(26-31-20)14(28)11-27/h2-10,14,27-28H,11H2,1H3,(H,23,24,25,26)/t14-/m1/s1
InChIKey
PCOMIRCNMMNOAP-CQSZACIVSA-N
Chemical Structure
2D Structure
2D structure of Arry-403
CAS: 1138669-65-4
CID: 25235269
Formula: C20H18N6O3S2
MW: 454.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.5
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count8
Exact Mass454.08818080
Monoisotopic Mass454.08818080
Topological Polar Surface Area180 Ų
Heavy Atom Count31
Formal Charge0
Complexity553
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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