Eponemycin

CAT: 0931-TN10113-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-TN10113-02Size:50 mg

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CAS Number

126509-46-4

Target

Antibiotic, DNA/RNA Synthesis

Related Pathways

Cell Cycle/Checkpoint, DNA Damage/DNA Repair, Microbiology/Virology

Bioactivity

Eponemycin is an antibiotic with antitumor properties. It exhibits cytotoxicity against cancer cell lines B16-F10, L1210, P388, and HCT-116, with IC50 values of 0.0017, 0.01, 0.031, and 0.0097 μg/mL, respectively. In B16-F10 and mitomycin C, Eponemycin inhibits DNA synthesis, with IC50 values of 0.1 μg/mL and 0.41 μg/mL, respectively.

Smiles

C([C@@H](NC([C@@H](NC(CCCCC(C)C)=O)CO)=O)CC(C)=C)(=O)[C@@]1(CO)CO1

Molecular Formula

C20H34N2O6

Molecular Weight

398.494

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Eponemycin

Eponemycin is a N-acyl-amino acid.

CAS Number	126509-46-4
PubChem CID	10092280
IUPAC Name	N-[(2S)-3-hydroxy-1-[[(2S)-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methyl-1-oxopent-4-en-2-yl]amino]-1-oxopropan-2-yl]-6-methylheptanamide
Molecular Formula	C20H34N2O6
Molecular Weight	398.5
XLogP	1.3
Topological Polar Surface Area	128
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	14
Heavy Atom Count	28
Formal Charge	0
Complexity	577

SMILES

CC(C)CCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=C)C)C(=O)[C@]1(CO1)CO

InChI

InChI=1S/C20H34N2O6/c1-13(2)7-5-6-8-17(25)21-16(10-23)19(27)22-15(9-14(3)4)18(26)20(11-24)12-28-20/h13,15-16,23-24H,3,5-12H2,1-2,4H3,(H,21,25)(H,22,27)/t15-,16-,20+/m0/s1

InChIKey

ZPLVYYNMRMBNGE-TWOQFEAHSA-N

Chemical Structure

2D Structure

CAS: 126509-46-4

CID: 10092280

Formula: C20H34N2O6

MW: 398.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	398.5
XLogP3	1.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	14
Exact Mass	398.24168681
Monoisotopic Mass	398.24168681
Topological Polar Surface Area	128 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	577
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-N14221	Eponemycin

Eponemycin

Chemical Information

Alternative Products

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