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JNJ-DGAT1-A

CAT: 0013-GTR19197397-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197397-01Size:25 mg
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Description
JNJ-DGAT1-A is a potent and selective small molecule inhibitor of diacylglycerol O-acyltransferase 1 (DGAT1) . It is a valuable research tool for investigating lipid metabolism, obesity, and metabolic diseases in both in vitro enzymatic assays and in vivo animal models.
CAS Number
1092067-85-0
Field of Research
Metabolism Research, Signal Transduction
Smiles
N (C (CC1=CC=C (OC) C=C1) =O) C2=CC=C (C=C2) N3CCN (C (NC4=C (Cl) C=C (CN5CCCC5) C=C4Cl) =O) CC3
Molecular Formula
C31H35Cl2N5O3
Molecular Weight
596.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Jnj-dgat1-A
CAS Number1092067-85-0
PubChem CID25102822
IUPAC NameN-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-[4-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]piperazine-1-carboxamide
Molecular FormulaC31H35Cl2N5O3
Molecular Weight596.5
XLogP5
Topological Polar Surface Area77.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity826
SMILES
COC1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)NC4=C(C=C(C=C4Cl)CN5CCCC5)Cl
InChI
InChI=1S/C31H35Cl2N5O3/c1-41-26-10-4-22(5-11-26)20-29(39)34-24-6-8-25(9-7-24)37-14-16-38(17-15-37)31(40)35-30-27(32)18-23(19-28(30)33)21-36-12-2-3-13-36/h4-11,18-19H,2-3,12-17,20-21H2,1H3,(H,34,39)(H,35,40)
InChIKey
SXKMCHGAAJTXPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Jnj-dgat1-A
CAS: 1092067-85-0
CID: 25102822
Formula: C31H35Cl2N5O3
MW: 596.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight596.5
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass595.2116954
Monoisotopic Mass595.2116954
Topological Polar Surface Area77.2 Ų
Heavy Atom Count41
Formal Charge0
Complexity826
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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