IM156

CAT: 0127-BUP05556-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP05556-03Size:10 mg

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CAS Number

1422365-93-2

Purity

=98%

Smiles

N(C(NC(=N)N1CCCC1)=N)C2=CC=C(OC(F)(F)F)C=C2

Chemical Information

IM-156 free base

Lixumistat is an orally bioavailable biguanide compound and mitochondrial oxidative phosphorylation (OxPhos) inhibitor, with potential antineoplastic activity. Upon administration, lixumistat inhibits oxidative phosphorylation, decreases mitochondrial function, prevents tumor cell metabolism and deprives tumor cells of energy, thereby preventing tumor cell proliferation. Mitochondrial OxPhos is overactivated in cancer cells and plays a key role in tumor cell proliferation. Drug resistant tumor cells are very susceptible to decreased mitochondrial OxPhos as they cannot easily compensate for the decrease in mitochondrial function by increasing glycolysis.

CAS Number	1422365-93-2
PubChem CID	71512108
IUPAC Name	N'-[N'-[4-(trifluoromethoxy)phenyl]carbamimidoyl]pyrrolidine-1-carboximidamide
Molecular Formula	C13H16F3N5O
Molecular Weight	315.29
XLogP	2.1
Topological Polar Surface Area	89.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	424

SMILES

C1CCN(C1)/C(=N/C(=NC2=CC=C(C=C2)OC(F)(F)F)N)/N

InChI

InChI=1S/C13H16F3N5O/c14-13(15,16)22-10-5-3-9(4-6-10)19-11(17)20-12(18)21-7-1-2-8-21/h3-6H,1-2,7-8H2,(H4,17,18,19,20)

InChIKey

NGFUHJWVBKTNOE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1422365-93-2

CID: 71512108

Formula: C13H16F3N5O

MW: 315.29

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	315.29
XLogP3	2.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	315.13069464
Monoisotopic Mass	315.13069464
Topological Polar Surface Area	89.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	424
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS3612017-01	IM156
A22320-5	IM156 5mg
A22320-100	IM156 100mg
A22320-10	IM156 10mg
C14354-25mg	Lixumistat (IM156)
A22320-1	IM156 1mg
A22320-50	IM156 50mg
A22320-25	IM156 25mg
A22320-10mM-D	IM156 10mM * 1mL in DMSO
TBI4657-5MG	IM156, AMPK activator/Mitochondrial protein complex I inhibitor

IM156

Chemical Information

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