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A922500

CAT: 1410-M17693-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M17693-04Size:25 mg
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Description
A922500 is an inhibitor for human and mouse DGAT-1 with IC50 of 7 nM and 24 nM, respectively, good selectivity over related acyltransferases, hERG, and a panel of anti-targets.
CAS Number
959122-11-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
428.48
Molecular Formula
C26H24N2O4
Notes
Research use only, not for human use.
Receptor
Human DGAT-1 , mouse DGAT-1 , DGAT-2

Chemical Information

(1R,2R)-2-((4'-(((Phenylamino)carbonyl)amino)(1,1'-biphenyl)-4-yl)carbonyl)cyclopentanecarboxylic acid

A 922500 is an aromatic ketone.

CAS Number959122-11-3
PubChem CID24768261
IUPAC Nametrans-(1R,2R)-2-[4-[4-(phenylcarbamoylamino)phenyl]benzoyl]cyclopentane-1-carboxylic acid
Molecular FormulaC26H24N2O4
Molecular Weight428.5
XLogP4.3
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity659
SMILES
C1C[C@H]([C@@H](C1)C(=O)O)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4
InChI
InChI=1S/C26H24N2O4/c29-24(22-7-4-8-23(22)25(30)31)19-11-9-17(10-12-19)18-13-15-21(16-14-18)28-26(32)27-20-5-2-1-3-6-20/h1-3,5-6,9-16,22-23H,4,7-8H2,(H,30,31)(H2,27,28,32)/t22-,23-/m1/s1
InChIKey
BOZRFEQDOFSZBV-DHIUTWEWSA-N
Chemical Structure
2D Structure
2D structure of (1R,2R)-2-((4'-(((Phenylamino)carbonyl)amino)(1,1'-biphenyl)-4-yl)carbonyl)cyclopentanecarboxylic acid
CAS: 959122-11-3
CID: 24768261
Formula: C26H24N2O4
MW: 428.5
Interactive 3D Structure
Loading 3D structure...
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Computed Properties
PropertyValue
Molecular Weight428.5
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass428.17360725
Monoisotopic Mass428.17360725
Topological Polar Surface Area95.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity659
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

Alternative Products

CatalogName
A4382-50A922500

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