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A 922500

CAT: 0931-T6365-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T6365-07Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
959122-11-3
Target
Acyltransferase, Transferase
Related Pathways
Metabolism
Purity
0.9766
Bioactivity
A 922500 (DGAT-1 Inhibitor 4a) is an inhibitor of human and mouse DGAT-1 with IC50 values of 7 nM and 24 nM, respectively, demonstrating good selectivity over related acyltransferases, hERG, and a panel of anti-targets.
Smiles
OC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(cc1)-c1ccc(NC(=O)Nc2ccccc2)cc1
Molecular Formula
C26H24N2O4
Molecular Weight
428.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

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CatalogName
T38776-01LP-922056

Alternative Products

CatalogName
HY-10038-01A 922500
526700A-922500
HY-10038RA 922500 (Standard)
A11199-100A 922500 100mg
A11199-50A 922500 50mg
A11199-5A 922500 5mg
A11199-1A 922500 1mg
A11199-25A 922500 25mg
A11199-10A 922500 10mg
A11199-2A 922500 2mg

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