MCC-555

CAT: 0931-T21764-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No

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CAT#:0931-T21764-02Size:1 mL - 10 mM (in DMSO)

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

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CAS Number

161600-01-7

Target

PPAR

Related Pathways

Metabolism, DNA Damage/DNA Repair

Purity

0.9982

Bioactivity

MCC-555 (Isaglitazone) is a PPARα and PPARγ agonist exerting antihyperglycemic effects.

Smiles

Fc1ccccc1COc1ccc2cc(CC3SC(=O)NC3=O)ccc2c1

Molecular Formula

C21H16FNO3S

Molecular Weight

381.42

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Isaglitazone

Netoglitazone (MCC-555) is a hypoglycemic agent.

CAS Number	161600-01-7
PubChem CID	204109
IUPAC Name	5-[[6-[(2-fluorophenyl)methoxy]naphthalen-2-yl]methyl]-1,3-thiazolidine-2,4-dione
Molecular Formula	C21H16FNO3S
Molecular Weight	381.4
XLogP	4.9
Topological Polar Surface Area	80.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	560

SMILES

C1=CC=C(C(=C1)COC2=CC3=C(C=C2)C=C(C=C3)CC4C(=O)NC(=O)S4)F

InChI

InChI=1S/C21H16FNO3S/c22-18-4-2-1-3-16(18)12-26-17-8-7-14-9-13(5-6-15(14)11-17)10-19-20(24)23-21(25)27-19/h1-9,11,19H,10,12H2,(H,23,24,25)

InChIKey

PKWDZWYVIHVNKS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 161600-01-7

CID: 204109

Formula: C21H16FNO3S

MW: 381.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	381.4
XLogP3	4.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	381.08349271
Monoisotopic Mass	381.08349271
Topological Polar Surface Area	80.7 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	560
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MCC-555

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