MIF-IN-4 hydrochloride

CAT: 0931-T63322-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T63322-01Size:25 mg

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CAS Number

2489514-05-6

Target

Others, MIF

Related Pathways

Immunology/Inflammation, Others

Bioactivity

MIF-IN-4 hydrochloride is a potent inhibitor of macrophage mobility inhibitory factor (MIF) with pIC50 values ranging from 5.01-6. Where MIF was originally discovered as a cytokine in the process of inhibiting macrophage migration.

Smiles

Cl.OCCn1ccc2c(nc(nc12)N1CCN(CC1)c1ccc(O)cc1)N1CCc2ccccc12

Molecular Formula

C26H29ClN6O2

Molecular Weight

493.01

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

MIF-IN-4 (hydrochloride)

CAS Number	2489514-05-6
PubChem CID	155102859
IUPAC Name	4-[4-[4-(2,3-dihydroindol-1-yl)-7-(2-hydroxyethyl)pyrrolo[2,3-d]pyrimidin-2-yl]piperazin-1-yl]phenol;hydrochloride
Molecular Formula	C26H29ClN6O2
Molecular Weight	493.0
Topological Polar Surface Area	80.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	35
Formal Charge	0
Complexity	668

SMILES

C1CN(C2=CC=CC=C21)C3=NC(=NC4=C3C=CN4CCO)N5CCN(CC5)C6=CC=C(C=C6)O.Cl

InChI

InChI=1S/C26H28N6O2.ClH/c33-18-17-30-11-10-22-24(30)27-26(28-25(22)32-12-9-19-3-1-2-4-23(19)32)31-15-13-29(14-16-31)20-5-7-21(34)8-6-20;/h1-8,10-11,33-34H,9,12-18H2;1H

InChIKey

JPZMCQXVFKETSO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2489514-05-6

CID: 155102859

Formula: C26H29ClN6O2

MW: 493.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	493.0
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	492.2040519
Monoisotopic Mass	492.2040519
Topological Polar Surface Area	80.9 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	668
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	2
Compound Is Canonicalized	Yes

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Catalog	Name
HY-144196	MIF-IN-4 (hydrochloride)
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433606-01	4,4’-Dimethylaminorex Hydrochloride
273082-01	4,4-Difluoropiperidine hydrochloride
sc-361084	4,4-Pentamethylenepiperidine hydrochloride
OR1011311-01	4,4-Dimethylpiperidine Hydrochloride
sc-290507	4,4-Diphenylpiperidine hydrochloride
PC409043-01	4,4-Difluoroazepane hydrochloride
GTR19190678-01	4,4-Diphenylbutylamine hydrochloride

MIF-IN-4 hydrochloride

Chemical Information

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