MK-0686

CAT: 1410-M34653-05Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1410-M34653-05Size:25 mg

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Description

MK-0686 is an orally available bradykinin B1 receptor antagonist with potential anti-inflammatory activity.

CAS Number

1159193-97-1

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

486.84

Molecular Formula

C22H19ClF4N2O4

Notes

Research use only, not for human use.

Receptor

Bradykinin Receptor

Chemical Information

Methyl 2-chloro-6-[3-fluoro-4-[1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate

CAS Number	1159193-97-1
PubChem CID	22349877
IUPAC Name	methyl 2-chloro-6-[3-fluoro-4-[1-[[1-[(2,2,2-trifluoroacetyl)amino]cyclopropanecarbonyl]amino]ethyl]phenyl]benzoate
Molecular Formula	C22H19ClF4N2O4
Molecular Weight	486.8
XLogP	4.5
Topological Polar Surface Area	84.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	33
Formal Charge	0
Complexity	761

SMILES

CC(C1=C(C=C(C=C1)C2=C(C(=CC=C2)Cl)C(=O)OC)F)NC(=O)C3(CC3)NC(=O)C(F)(F)F

InChI

InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)

InChIKey

WZZIQHIQMWJNLU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1159193-97-1

CID: 22349877

Formula: C22H19ClF4N2O4

MW: 486.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	486.8
XLogP3	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	486.0969474
Monoisotopic Mass	486.0969474
Topological Polar Surface Area	84.5 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	761
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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Alternative Products

Catalog	Name
T33421-01	MK-0686
HY-15042-01	MK 0686
HY-15042A	(Rac) -MK 0686
324068-01	MK
167912	Midkine (MK, MK1, MK-1, MK 1) discontinued
MBS131426	MK-4101 (MK 4101; MK4101)
MBS131418	Doravirine (MK-1439; MK1439; MK 1439)
456310-01	MK 677
MKB78162-01	MK-0674
A3615-10	MK-3207

MK-0686

Chemical Information

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