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KH-176M

CAT: 0013-GTR19242131-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242131-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KH176m is a selective mPGES-1 inhibitor and redox modulator. It suppresses prostate cancer spheroid growth in vitro and demonstrates therapeutic potential for cardiac ischemia-reperfusion injury by mitigating oxidative stress, as shown in relevant in vivo models.
CAS Number
2095304-61-1
Smiles
C (C[C@] (C (N[C@@H]1CCCNC1) =O) (C) O) C2=C (C) C (=O) C (C) =C (C) C2=O
Molecular Formula
C19H28N2O4
Molecular Weight
348.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MR3V3Hzj4H
CAS Number2095304-61-1
PubChem CID142597661
IUPAC Name(2S)-2-hydroxy-2-methyl-N-[(3R)-piperidin-3-yl]-4-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanamide
Molecular FormulaC19H28N2O4
Molecular Weight348.4
XLogP0.8
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity662
SMILES
CC1=C(C(=O)C(=C(C1=O)C)CC[C@@](C)(C(=O)N[C@@H]2CCCNC2)O)C
InChI
InChI=1S/C19H28N2O4/c1-11-12(2)17(23)15(13(3)16(11)22)7-8-19(4,25)18(24)21-14-6-5-9-20-10-14/h14,20,25H,5-10H2,1-4H3,(H,21,24)/t14-,19+/m1/s1
InChIKey
LEKUGUATSGETDB-KUHUBIRLSA-N
Chemical Structure
2D Structure
2D structure of MR3V3Hzj4H
CAS: 2095304-61-1
CID: 142597661
Formula: C19H28N2O4
MW: 348.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.4
XLogP30.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass348.20490738
Monoisotopic Mass348.20490738
Topological Polar Surface Area95.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity662
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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