MF-438

CAT: 0804-HY-15822-04Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-15822-04Size:10 mg

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Description

MF-438 is a potent and orally bioavailable stearoyl-CoA desaturase 1 (SCD1) inhibitor with an IC50 of 2.3 nM for rSCD1[1].

CAS Number

921605-87-0

UNSPSC

12352005

Hazard Statement

H302, H315, H319, H335

Target

Stearoyl-CoA Desaturase (SCD)

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Applications

Metabolism-sugar/lipid metabolism

Field of Research

Metabolic Disease

Assay Protocol

https://www.medchemexpress.com/mf-438.html

Purity

99.92

Solubility

DMF : 50 mg/mL (ultrasonic) |DMSO : 25 mg/mL (ultrasonic)

Smiles

FC(C1=CC=CC=C1OC2CCN(C3=NN=C(C4=NN=C(C)S4)C=C3)CC2)(F)F

Molecular Formula

C19H18F3N5OS

Molecular Weight

421.44

Precautions

H302, H315, H319, H335

References & Citations

[1]Léger S, et al. Synthesis and biological activity of a potent and orally bioavailable SCD inhibitor (MF-438) . Bioorg Med Chem Lett. 2010 Jan 15;20 (2) :499-502.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

MF-438

inhibits stearoyl-CoA desaturase 1; structure in first source

CAS Number	921605-87-0
PubChem CID	16042458
IUPAC Name	2-methyl-5-[6-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridazin-3-yl]-1,3,4-thiadiazole
Molecular Formula	C19H18F3N5OS
Molecular Weight	421.4
XLogP	3.9
Topological Polar Surface Area	92.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	534

SMILES

CC1=NN=C(S1)C2=NN=C(C=C2)N3CCC(CC3)OC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C19H18F3N5OS/c1-12-23-26-18(29-12)15-6-7-17(25-24-15)27-10-8-13(9-11-27)28-16-5-3-2-4-14(16)19(20,21)22/h2-7,13H,8-11H2,1H3

InChIKey

NVUJDKDVOZVALT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 921605-87-0

CID: 16042458

Formula: C19H18F3N5OS

MW: 421.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	421.4
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Exact Mass	421.11841587
Monoisotopic Mass	421.11841587
Topological Polar Surface Area	92.3 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	534
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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WLB60587-01	MF-438

MF-438

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