K-80001

CAT: 0013-GTR19218744-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19218744-01Size:25 mg

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Description

K-80001 is a dual-function small molecule acting as a selective RXRα ligand and a COX-1/2 inhibitor, with respective IC50 values of 82.9 μM, 3.4 μM, and 1.2 μM. It serves as a valuable research tool for investigating retinoid X receptor signaling and cyclooxygenase pathways in both in vitro and in vivo models of inflammation and cancer.

CAS Number

242800-40-4

Field of Research

Immunology & Inflammation, Metabolism Research, Neuroscience

Smiles

C (=C/1\C=2C (C (CC (O) =O) =C1C) =CC (F) =CC2) \C3=CC=C (C) C=C3

Molecular Formula

C20H17FO2

Molecular Weight

308.35

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylphenyl)methylidene]inden-1-yl]acetic acid

CAS Number	242800-40-4
PubChem CID	9839585
IUPAC Name	2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylphenyl)methylidene]inden-1-yl]acetic acid
Molecular Formula	C20H17FO2
Molecular Weight	308.3
XLogP	4.7
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	23
Formal Charge	0
Complexity	526

SMILES

CC1=CC=C(C=C1)/C=C\2/C(=C(C3=C2C=CC(=C3)F)CC(=O)O)C

InChI

InChI=1S/C20H17FO2/c1-12-3-5-14(6-4-12)9-17-13(2)18(11-20(22)23)19-10-15(21)7-8-16(17)19/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-

InChIKey

BZRWYHUKBKGVAO-MFOYZWKCSA-N

Chemical Structure

2D Structure

CAS: 242800-40-4

CID: 9839585

Formula: C20H17FO2

MW: 308.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	308.3
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	308.12125794
Monoisotopic Mass	308.12125794
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	526
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
HY-153980	K-80001
RM-Z240000-01	S-Antcin K; Zhankuic acid K
MBS1070614-01	Recombinant Escherichia coli Protein K (K)
8000124	Proteinase K (contains Proteinase K solution)
351334-01	KRAS (GTPase Kras, C-K-RAS, K-RAS2A, K-RAS2B, K-RAS4A, K-RAS4B, KI-RAS, KRAS1, NS3, RASK2, GTPase Kras, K-RAS2A, K RAS2B, K RAS4A, K RAS4B, KI RAS, KRAS 1, NS 3)
P6803	PDuRCC-K
BIO-37039	Proteinase K
BA4372-1	K-756
BA3325-10	K-8012
A8344-25	K-252c

K-80001

Chemical Information

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