Ironomycin

CAT: 0804-HY-150280-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-150280-02Size:10 mg

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Description

Ironomycin is a derivative of Salinomycin. Ironomycin exhibits selective inhibitory activity against mantle cell lymphoma (MCL) cells. Ironomycin blocks the cell cycle and induces apoptosis and ferroptosis. Ironomycin induces double-strand DNA breaks and activates the unfolded protein response (UPR), particularly the IRE1α signaling pathway accumulation. The combination of Ironomycin with Ibrutinib (HY-10997) shows a synergistic effect. Ironomycin can be used for the study of MCL.

CAS Number

1884647-72-6

UNSPSC

12352005

Target

Apoptosis; Caspase; CDK; DNA/RNA Synthesis; Drug Derivative; Ferroptosis; IRE1

Related Pathways

Apoptosis; Cell Cycle/DNA Damage; Others

Field of Research

Cancer

Smiles

C#CCN[C@H]1[C@@]2(O[C@@](CC2)([C@]3([H])O[C@H]([C@](O)(CC3)CC)C)C)O[C@]4(C=C1)O[C@]([C@H](C[C@H]4C)C)([H])[C@@H](CC)C([C@@H](C)[C@@H](O)[C@@H]([C@]5([H])O[C@@](CC[C@@H]5C)([H])[C@@H](CC)C(O)=O)C)=O

Molecular Formula

C45H73NO10

Molecular Weight

788.06

References & Citations

[1]Antoszczak M, et al. Rapid Access to Ironomycin Derivatives by Click Chemistry. ACS Org Inorg Au. 2022 Jun 1;2 (3) :222-228.|[2]Ovejero S, et al. Ironomycin induces mantle cell lymphoma cell death by targeting iron metabolism addiction. Theranostics. 2025 Feb 3;15 (7) :2834-2851.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Isoform

Caspase 3; Caspase 8; Caspase 9; CDK4

Chemical Information

Ironomycin

CAS Number	1884647-72-6
PubChem CID	155520759
IUPAC Name	(2R)-2-[(2R,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3,10,12-trimethyl-15-(prop-2-ynylamino)-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoic acid
Molecular Formula	C45H73NO10
Molecular Weight	788.1
XLogP	3.8
Topological Polar Surface Area	153
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	14
Heavy Atom Count	56
Formal Charge	0
Complexity	1460

SMILES

CC[C@H]([C@H]1CC[C@@H]([C@@H](O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@H]([C@]3(O2)C=C[C@H]([C@@]4(O3)CC[C@@](O4)(C)[C@H]5CC[C@@]([C@@H](O5)C)(CC)O)NCC#C)C)C)O)C)C(=O)O

InChI

InChI=1S/C45H73NO10/c1-12-24-46-35-18-21-44(56-45(35)23-22-42(11,55-45)36-19-20-43(51,15-4)31(10)52-36)28(7)25-27(6)40(54-44)33(14-3)38(48)29(8)37(47)30(9)39-26(5)16-17-34(53-39)32(13-2)41(49)50/h1,18,21,26-37,39-40,46-47,51H,13-17,19-20,22-25H2,2-11H3,(H,49,50)/t26-,27-,28+,29-,30-,31-,32+,33-,34+,35+,36+,37+,39+,40-,42-,43+,44-,45-/m0/s1

InChIKey

CPVCFIJOMZZLDG-LIAGKXCRSA-N

Chemical Structure

2D Structure

CAS: 1884647-72-6

CID: 155520759

Formula: C45H73NO10

MW: 788.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	788.1
XLogP3	3.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	14
Exact Mass	787.52344753
Monoisotopic Mass	787.52344753
Topological Polar Surface Area	153 Å²
Heavy Atom Count	56
Formal Charge	0
Complexity	1460
Isotope Atom Count	0
Defined Atom Stereocenter Count	18
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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