EX-A5386

CAT: 0013-GTR19184276-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19184276-02Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

EX-A5386 is a potent small molecule glucocorticoid receptor modulator with sub-100 nM IC50/EC50 values. It is a valuable research tool for studying GR-mediated pathways in both cellular and animal models of inflammation, metabolic disease, and immune regulation.

CAS Number

2452396-89-1

Product Name Alternative

Glucocorticoid receptor modulator-1, GlucocorticoidReceptor, Glucocorticoid Receptor, EX-A5386, EX-A-5386, EX-A 5386

Field of Research

Metabolism Research

Purity

99.69% (May vary between batches)

Smiles

N (C (=O) C1CC1) [C@@H]2[C@H] (N (C (=O) C2 (C) C) C=3C=C4C (=CC3) N (N=C4) C5=CC=C (F) C=C5) C6=CC=CC=C6

Molecular Formula

C29H27FN4O2

Molecular Weight

482.55

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Glucocorticoid receptor modulator-1

CAS Number	2452396-89-1
PubChem CID	154598160
IUPAC Name	N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-4,4-dimethyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
Molecular Formula	C29H27FN4O2
Molecular Weight	482.5
XLogP	4.7
Topological Polar Surface Area	67.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	36
Formal Charge	0
Complexity	833

SMILES

CC1([C@@H]([C@H](N(C1=O)C2=CC3=C(C=C2)N(N=C3)C4=CC=C(C=C4)F)C5=CC=CC=C5)NC(=O)C6CC6)C

InChI

InChI=1S/C29H27FN4O2/c1-29(2)26(32-27(35)19-8-9-19)25(18-6-4-3-5-7-18)33(28(29)36)23-14-15-24-20(16-23)17-31-34(24)22-12-10-21(30)11-13-22/h3-7,10-17,19,25-26H,8-9H2,1-2H3,(H,32,35)/t25-,26-/m1/s1

InChIKey

GJNFFVZYGXQBFZ-CLJLJLNGSA-N

Chemical Structure

2D Structure

CAS: 2452396-89-1

CID: 154598160

Formula: C29H27FN4O2

MW: 482.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	482.5
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	482.21180428
Monoisotopic Mass	482.21180428
Topological Polar Surface Area	67.2 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	833
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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EX-A5386

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